1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid

C12H9FN4O2 — CID 58156074

IUPAC1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
SMILESCc1c(F)ccc2[nH]c(-n3cc(C(=O)O)cn3)nc12
InChIInChI=1S/C12H9FN4O2/c1-6-8(13)2-3-9-10(6)16-12(15-9)17-5-7(4-14-17)11(18)19/h2-5H,1H3,(H,15,16)(H,18,19)
InChIKeyIOZGVJSQFKYJKA-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.89
Rot. Bonds2

About 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid

1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid (PubChem CID 58156074) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
PubChem CID58156074
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
SMILESCc1c(F)ccc2[nH]c(-n3cc(C(=O)O)cn3)nc12
InChIInChI=1S/C12H9FN4O2/c1-6-8(13)2-3-9-10(6)16-12(15-9)17-5-7(4-14-17)11(18)19/h2-5H,1H3,(H,15,16)(H,18,19)
InChIKeyIOZGVJSQFKYJKA-UHFFFAOYSA-N
XLogP1.89
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid (CID 58156074) is 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid is Cc1c(F)ccc2[nH]c(-n3cc(C(=O)O)cn3)nc12.
What is the InChIKey of 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is IOZGVJSQFKYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-6-8(13)2-3-9-10(6)16-12(15-9)17-5-7(4-14-17)11(18)19/h2-5H,1H3,(H,15,16)(H,18,19).
What are the key properties of 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid?
1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 260.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 58156074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).