1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid

C14H14N4O2 — CID 82376213

IUPAC1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccc3nc(C)[nH]c3c2)cc1C(=O)O
InChIInChI=1S/C14H14N4O2/c1-3-18-13(14(19)20)7-11(17-18)9-4-5-10-12(6-9)16-8(2)15-10/h4-7H,3H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyJJSVZSMPGUSSOI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.45
Rot. Bonds3

About 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid

1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid (PubChem CID 82376213) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid
PubChem CID82376213
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccc3nc(C)[nH]c3c2)cc1C(=O)O
InChIInChI=1S/C14H14N4O2/c1-3-18-13(14(19)20)7-11(17-18)9-4-5-10-12(6-9)16-8(2)15-10/h4-7H,3H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyJJSVZSMPGUSSOI-UHFFFAOYSA-N
XLogP2.45
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid
CID 116878629
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
4-(hydroxymethyl)-3-(2-methyl-3H-benzimidazol-5-yl)benzoic acid
CID 171064454
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
CID 166339220
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid
CID 82409703
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
3-(4-methyl-3-nitrophenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 84761192
3-(4-fluoro-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761156

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid (CID 82376213) is 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid is CCn1nc(-c2ccc3nc(C)[nH]c3c2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid?
The InChIKey is JJSVZSMPGUSSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-18-13(14(19)20)7-11(17-18)9-4-5-10-12(6-9)16-8(2)15-10/h4-7H,3H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid?
1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82376213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).