3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid

C11H9ClN4O3 — CID 64782649

IUPAC3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid
SMILESCNC(=O)c1ccn(-c2ccc(Cl)c(C(=O)O)n2)n1
InChIInChI=1S/C11H9ClN4O3/c1-13-10(17)7-4-5-16(15-7)8-3-2-6(12)9(14-8)11(18)19/h2-5H,1H3,(H,13,17)(H,18,19)
InChIKeyPTSWKGBFOWVNLH-UHFFFAOYSA-N
MW280.67 g/mol
LogP0.98
Rot. Bonds3

About 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid

3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid (PubChem CID 64782649) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid
PubChem CID64782649
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid
SMILESCNC(=O)c1ccn(-c2ccc(Cl)c(C(=O)O)n2)n1
InChIInChI=1S/C11H9ClN4O3/c1-13-10(17)7-4-5-16(15-7)8-3-2-6(12)9(14-8)11(18)19/h2-5H,1H3,(H,13,17)(H,18,19)
InChIKeyPTSWKGBFOWVNLH-UHFFFAOYSA-N
XLogP0.98
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64780996
1-(6-chloro-4-cyano-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 83076446
1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 113317014
1-(5-amino-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64782073
2-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64781141
1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 79073921
1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 64781700
3-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
CID 61347865
1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780401
N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80950267
3-amino-4-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64783070
2-[3-(methylcarbamoyl)pyrazol-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116690001

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid (CID 64782649) is 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid is CNC(=O)c1ccn(-c2ccc(Cl)c(C(=O)O)n2)n1.
What is the InChIKey of 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
The InChIKey is PTSWKGBFOWVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-13-10(17)7-4-5-16(15-7)8-3-2-6(12)9(14-8)11(18)19/h2-5H,1H3,(H,13,17)(H,18,19).
What are the key properties of 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid?
3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid has a molecular weight of 280.67 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(methylcarbamoyl)pyrazol-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 64782649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).