4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

C₈H₁₄N₄OCAS 139756-02-8182.23 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₈H₁₄N₄O
Molar mass: 182.23 g/mol
Exact mass: 182.1168 Da
Melting point: 98 °C
logP: 0.05Crippen estimate
Polar surface area: 86.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

139756-02-8

SMILES

CCCc1nn(C)c(C(N)=O)c1N

InChIKey

PZMXDLWWQHYXGY-UHFFFAOYSA-N

InChI

InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)

Weigh it out

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

Names and synonyms

3 names

1H-Pyrazole-5-carboxamide, 4-amino-1-methyl-3-propyl-
4-Amino-1-methyl-3-propylpyrazole-5-carboxamide
4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxamide

Work with 4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide hydrochloride (1:1)247584-10-7Salt

Similar compounds

1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide139756-01-761 % similar 1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-835 % similar 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid127892-62-034 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-034 % similar 4-N-Butylbenzamide107377-07-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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