3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid

C10H9ClN4O2 — CID 139663963

IUPAC3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid
SMILESCn1nc(Cl)c(C(=O)O)c1Nc1ccccn1
InChIInChI=1S/C10H9ClN4O2/c1-15-9(7(10(16)17)8(11)14-15)13-6-4-2-3-5-12-6/h2-5H,1H3,(H,12,13)(H,16,17)
InChIKeyPCIJVCKCFRCXGA-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.91
Rot. Bonds3

About 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid

3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid (PubChem CID 139663963) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid
PubChem CID139663963
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid
SMILESCn1nc(Cl)c(C(=O)O)c1Nc1ccccn1
InChIInChI=1S/C10H9ClN4O2/c1-15-9(7(10(16)17)8(11)14-15)13-6-4-2-3-5-12-6/h2-5H,1H3,(H,12,13)(H,16,17)
InChIKeyPCIJVCKCFRCXGA-UHFFFAOYSA-N
XLogP1.91
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid
CID 79778807
1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 110674207
methanol;N-methylpyridin-2-amine
CID 174971654
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840
benzene-1,3-dicarboxylic acid;N-methylpyridin-2-amine;hydrochloride
CID 174581596
3-(furan-2-yl)-1-methyl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 167936800
pyridine;N-pyridin-2-ylacetamide
CID 67298573
1-methyl-3-(4-nitrophenyl)-5-(pyridin-2-ylamino)pyrazole-4-carbonitrile
CID 168849981
bis(3,5-dicarboxybenzoate);methanol;palladium(2+);bis(N-pyridin-2-ylpyrimidin-2-amine)
CID 139145284
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid?
The IUPAC name of 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid (CID 139663963) is 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid is Cn1nc(Cl)c(C(=O)O)c1Nc1ccccn1.
What is the InChIKey of 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid?
The InChIKey is PCIJVCKCFRCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-15-9(7(10(16)17)8(11)14-15)13-6-4-2-3-5-12-6/h2-5H,1H3,(H,12,13)(H,16,17).
What are the key properties of 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid?
3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-5-(pyridin-2-ylamino)pyrazole-4-carboxylic acid is sourced from PubChem (CID 139663963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).