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

C14H14N4O2 — CID 82501989

IUPAC5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCCc1nc2ccc(-c3cc(C(=O)O)nn3C)cc2[nH]1
InChIInChI=1S/C14H14N4O2/c1-3-13-15-9-5-4-8(6-10(9)16-13)12-7-11(14(19)20)17-18(12)2/h4-7H,3H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyVTKNLADPZLJYKH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.22
Rot. Bonds3

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

5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 82501989) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID82501989
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCCc1nc2ccc(-c3cc(C(=O)O)nn3C)cc2[nH]1
InChIInChI=1S/C14H14N4O2/c1-3-13-15-9-5-4-8(6-10(9)16-13)12-7-11(14(19)20)17-18(12)2/h4-7H,3H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyVTKNLADPZLJYKH-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117428884
1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
5-(1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357211
1-methyl-5-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxylic acid
CID 117480854
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-(3-hydroxy-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414983
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
5-(3-fluoro-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117419463
5-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 115111437
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
CID 117396362

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid (CID 82501989) is 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid is CCc1nc2ccc(-c3cc(C(=O)O)nn3C)cc2[nH]1.
What is the InChIKey of 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is VTKNLADPZLJYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-13-15-9-5-4-8(6-10(9)16-13)12-7-11(14(19)20)17-18(12)2/h4-7H,3H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82501989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).