3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid

C14H14N4O2 — CID 107464232

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
SMILESCCc1nn(C)cc1-n1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C14H14N4O2/c1-3-10-12(7-17(2)16-10)18-8-15-11-6-4-5-9(13(11)18)14(19)20/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyOCWFJSHBWXFZSI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.02
Rot. Bonds3

About 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid

3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid (PubChem CID 107464232) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
PubChem CID107464232
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
SMILESCCc1nn(C)cc1-n1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C14H14N4O2/c1-3-10-12(7-17(2)16-10)18-8-15-11-6-4-5-9(13(11)18)14(19)20/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyOCWFJSHBWXFZSI-UHFFFAOYSA-N
XLogP2.02
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 107464237
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
CID 107464233
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
CID 107602181
3-thiophen-3-ylbenzimidazole-4-carboxylic acid
CID 112577374
1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
CID 107464583
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592
3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 115932710
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid (CID 107464232) is 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid is CCc1nn(C)cc1-n1cnc2cccc(C(=O)O)c21.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid?
The InChIKey is OCWFJSHBWXFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-10-12(7-17(2)16-10)18-8-15-11-6-4-5-9(13(11)18)14(19)20/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid?
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107464232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).