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

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Related Compounds

1-(6-fluoro-5-propan-2-ylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 58156055
1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 58156036
1-(7-fluoro-4-oxo-6-propan-2-yl-3H-quinazolin-2-yl)pyrazole-4-carboxylic acid
CID 174690994
1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid
CID 135860558
1-(5-chloro-6-nitro-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 135888974
1-(7-chloro-6-methylsulfonyl-4-oxo-3H-quinazolin-2-yl)pyrazole-4-carboxylic acid
CID 142764582
1-(3-bromo-4-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121228
1-(2-methylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 62770775
1-[1-[1-(4-chloro-2-fluorophenyl)propyl]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
CID 137108330
1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
CID 58156060
1-[3-methyl-1-(naphthalen-2-ylmethyl)-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
CID 137130591
1-[6-chloro-5-(propanoylamino)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
CID 66937339

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).