3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid

C10H8N4O3 — CID 64528251

IUPAC3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1cccnc1
InChIInChI=1S/C10H8N4O3/c15-9(6-2-1-3-11-5-6)12-8-4-7(10(16)17)13-14-8/h1-5H,(H,16,17)(H2,12,13,14,15)
InChIKeyZZBRDRMYKPITIT-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.76
Rot. Bonds3

About 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid

3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64528251) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64528251
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1cccnc1
InChIInChI=1S/C10H8N4O3/c15-9(6-2-1-3-11-5-6)12-8-4-7(10(16)17)13-14-8/h1-5H,(H,16,17)(H2,12,13,14,15)
InChIKeyZZBRDRMYKPITIT-UHFFFAOYSA-N
XLogP0.76
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 67819049
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 51102512
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 71989878
3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 79685939
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55975946

Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid (CID 64528251) is 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid is O=C(Nc1cc(C(=O)O)[nH]n1)c1cccnc1.
What is the InChIKey of 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZZBRDRMYKPITIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-9(6-2-1-3-11-5-6)12-8-4-7(10(16)17)13-14-8/h1-5H,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid?
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).