5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid

C14H14N4O2 — CID 117428884

IUPAC5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1nc2ccc(-c3cc(C(=O)O)nn3C)cc2n1C
InChIInChI=1S/C14H14N4O2/c1-8-15-10-5-4-9(6-13(10)17(8)2)12-7-11(14(19)20)16-18(12)3/h4-7H,1-3H3,(H,19,20)
InChIKeyHZPKEGXUNHHPAL-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.98
Rot. Bonds2

About 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid

5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117428884) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117428884
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1nc2ccc(-c3cc(C(=O)O)nn3C)cc2n1C
InChIInChI=1S/C14H14N4O2/c1-8-15-10-5-4-9(6-13(10)17(8)2)12-7-11(14(19)20)16-18(12)3/h4-7H,1-3H3,(H,19,20)
InChIKeyHZPKEGXUNHHPAL-UHFFFAOYSA-N
XLogP1.98
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
1-methyl-5-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxylic acid
CID 117480854
5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 82501989
5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117426099
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-(1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357211
5-[3-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117419287
1-methyl-5-(3-methyl-1,2-benzoxazol-6-yl)pyrazole-3-carboxylic acid
CID 117395895
5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357229
1-methyl-5-(3-methyl-1H-indol-5-yl)pyrazole-3-carboxylic acid
CID 117390911

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid (CID 117428884) is 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid is Cc1nc2ccc(-c3cc(C(=O)O)nn3C)cc2n1C.
What is the InChIKey of 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is HZPKEGXUNHHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-15-10-5-4-9(6-13(10)17(8)2)12-7-11(14(19)20)16-18(12)3/h4-7H,1-3H3,(H,19,20).
What are the key properties of 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117428884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).