3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid

C14H14N4O2 — CID 107464233

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nn(C)cc1-n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H14N4O2/c1-3-10-13(7-17(2)16-10)18-8-15-11-5-4-9(14(19)20)6-12(11)18/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyCENAXMLABLLMHC-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.02
Rot. Bonds3

About 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid

3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid (PubChem CID 107464233) 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-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
PubChem CID107464233
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nn(C)cc1-n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H14N4O2/c1-3-10-13(7-17(2)16-10)18-8-15-11-5-4-9(14(19)20)6-12(11)18/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyCENAXMLABLLMHC-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

1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
CID 107464583
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
3-(4-methoxy-1H-pyrrol-3-yl)benzimidazole-5-carboxylic acid
CID 176893020
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
CID 82790901
3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 104727768
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
3-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 115991762

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid (CID 107464233) is 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid is CCc1nn(C)cc1-n1cnc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid?
The InChIKey is CENAXMLABLLMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-10-13(7-17(2)16-10)18-8-15-11-5-4-9(14(19)20)6-12(11)18/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid?
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-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-5-carboxylic acid is sourced from PubChem (CID 107464233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).