5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid

C12H10Cl2N2O2 — CID 2400451

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C12H10Cl2N2O2/c1-7-10(12(17)18)11(14)16(15-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,17,18)
InChIKeyJFXMBXPVJHNYCO-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.24
Rot. Bonds3

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid

5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid (PubChem CID 2400451) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
PubChem CID2400451
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C12H10Cl2N2O2/c1-7-10(12(17)18)11(14)16(15-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,17,18)
InChIKeyJFXMBXPVJHNYCO-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid (CID 2400451) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid?
The InChIKey is JFXMBXPVJHNYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-10(12(17)18)11(14)16(15-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid has a molecular weight of 285.13 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 2400451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).