5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid

C11H10ClN3O2 — CID 174537648

IUPAC5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C)nc(-n2ncc(C(=O)O)c2Cl)c1
InChIInChI=1S/C11H10ClN3O2/c1-6-3-7(2)14-9(4-6)15-10(12)8(5-13-15)11(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyPUWPANVQCVZBMW-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.24
Rot. Bonds2

About 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid

5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid (PubChem CID 174537648) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid
PubChem CID174537648
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C)nc(-n2ncc(C(=O)O)c2Cl)c1
InChIInChI=1S/C11H10ClN3O2/c1-6-3-7(2)14-9(4-6)15-10(12)8(5-13-15)11(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyPUWPANVQCVZBMW-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 113373696
5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
CID 90791486
5-amino-2-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]benzoic acid
CID 67106963
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 28606324
5-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82361302
1-(3,5-dimethylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361629
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 83241649
5-methylpyrazolo[1,5-b]pyridazine-3-carboxylic acid
CID 74888888
5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 66789822
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid (CID 174537648) is 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid is Cc1cc(C)nc(-n2ncc(C(=O)O)c2Cl)c1.
What is the InChIKey of 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The InChIKey is PUWPANVQCVZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-3-7(2)14-9(4-6)15-10(12)8(5-13-15)11(16)17/h3-5H,1-2H3,(H,16,17).
What are the key properties of 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid?
5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 174537648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).