4-cyano-1H-pyrazole-5-carboxylic acid

C5H3N3O2 — CID 1479411

IUPAC4-cyano-1H-pyrazole-5-carboxylic acid
SMILESN#Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C5H3N3O2/c6-1-3-2-7-8-4(3)5(9)10/h2H,(H,7,8)(H,9,10)
InChIKeyAAXCTCRAEHZVHJ-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.02
Rot. Bonds1

About 4-cyano-1H-pyrazole-5-carboxylic acid

4-cyano-1H-pyrazole-5-carboxylic acid (PubChem CID 1479411) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is 4-cyano-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyano-1H-pyrazole-5-carboxylic acid
PubChem CID1479411
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name4-cyano-1H-pyrazole-5-carboxylic acid
SMILESN#Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C5H3N3O2/c6-1-3-2-7-8-4(3)5(9)10/h2H,(H,7,8)(H,9,10)
InChIKeyAAXCTCRAEHZVHJ-UHFFFAOYSA-N
XLogP-0.02
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-5-carboxylic acid
CID 574310
4-Chloro-1H-pyrazole-3-carboxylic acid
CID 589702
4-iodo-1H-pyrazole-3-carboxylic acid
CID 1205612
4-Methylpyrazole-3-carboxylic acid
CID 5324580
4-Bromo-1H-pyrazole-3-carboxylic acid
CID 1242246
1H-pyrazole-4,5-dicarboxylic acid
CID 3998064
4-Formyl-1H-pyrazole-3-carboxylic acid
CID 22478146
4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 66878718
4-ethynyl-1H-pyrazole-5-carboxylic acid
CID 129802468
ethyl 4-cyano-1H-pyrazole-5-carboxylate
CID 1479416
4-fluoro-1H-pyrazole-3-carboxylic acid
CID 55298956
4-methyl-1H-pyrazole-3-carboxylic acid hydrochloride
CID 122236434

Frequently Asked Questions

What is the IUPAC name of 4-cyano-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyano-1H-pyrazole-5-carboxylic acid (CID 1479411) is 4-cyano-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyano-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyano-1H-pyrazole-5-carboxylic acid is N#Cc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-cyano-1H-pyrazole-5-carboxylic acid?
The InChIKey is AAXCTCRAEHZVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c6-1-3-2-7-8-4(3)5(9)10/h2H,(H,7,8)(H,9,10).
What are the key properties of 4-cyano-1H-pyrazole-5-carboxylic acid?
4-cyano-1H-pyrazole-5-carboxylic acid has a molecular weight of 137.10 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 1479411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).