3-Amino-1H-pyrazole-4-carboxylic acid

C4H5N3O2CAS 41680-34-6127.10 g/mol

Open in Covalent MOL file
HNNHNHOHO
Carboxylic acid

Properties

Molecular formula
C4H5N3O2
Molar mass
127.10 g/mol
Exact mass
127.0382 Da
logP
-0.48Crippen estimate
Polar surface area
92.7 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
41680-34-6
SMILES
N=c1[nH][nH]cc1C(=O)O
InChIKey
KMRVTZLKQPFHFS-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Pyrazole-4-carboxylic acid, 3-amino-
  • 3-Amino-4-carboxypyrazole
  • 3-Aminopyrazole-4-carboxylic acid
  • NSC 89246

Work with 3-Amino-1H-pyrazole-4-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

3-Amino-1H-pyrazole-4-carboxamide sulfate (2:1)27511-79-154 % similar Ethyl 3-amino-1H-pyrazole-4-carboxylate6994-25-847 % similar 4-Aminonicotinic acid7418-65-744 % similar Pyromellitic acid89-05-443 % similar 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-442 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-240 % similar Phthalic acid88-99-340 % similar Thiophene-3,4-dicarboxylic acid4282-29-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-4-nitroimidazole14003-66-8 N-(Aminocarbonyl)-2-cyanoacetamide1448-98-2 1,2,4-Triazole-1-acetic acid28711-29-7 1-Methyl-4-nitroimidazole3034-41-1 1-Methyl-4-nitro-1H-pyrazole3994-50-1 Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-5 Methyl 1,2,3-triazole-4-carboxylate4967-77-5 3-Methyl-4-nitro-1H-pyrazole5334-39-4

Elsewhere

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