4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid

C₈H₁₀N₂O₂CAS 6076-13-7166.18 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₈H₁₀N₂O₂
Molar mass: 166.18 g/mol
Exact mass: 166.0742 Da
Melting point: 254 °C
logP: 0.99Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6076-13-7

SMILES

O=C(O)c1n[nH]c2c1CCCC2

InChIKey

LWXNHFZBFJMHGU-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
3-Carboxy-4,5,6,7-tetrahydroindazole
4,5,6,7-Tetrahydroindazole-3-carboxylic acid

Work with 4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,3-Triazole-4,5-dicarboxylic acid4546-95-644 % similar 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid89831-40-342 % similar Indazole-3-carboxylic acid4498-67-340 % similar 5-Bromo-1H-indazole-3-carboxylic acid1077-94-740 % similar 6-Bromo-1H-indazole-3-carboxylic acid660823-36-939 % similar 3-Chloro-2-pyrazine-carboxylic acid27398-39-637 % similar 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid4242-18-637 % similar 4-Bromo-1H-indazole-3-carboxylic acid885521-80-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

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