2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide

C13H13N5O — CID 112523655

IUPAC2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccnn3C)cc2[nH]1
InChIInChI=1S/C13H13N5O/c1-8-15-10-4-3-9(7-11(10)16-8)17-13(19)12-5-6-14-18(12)2/h3-7H,1-2H3,(H,15,16)(H,17,19)
InChIKeyXKSAVFMVIBZCJU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide

2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide (PubChem CID 112523655) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
PubChem CID112523655
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccnn3C)cc2[nH]1
InChIInChI=1S/C13H13N5O/c1-8-15-10-4-3-9(7-11(10)16-8)17-13(19)12-5-6-14-18(12)2/h3-7H,1-2H3,(H,15,16)(H,17,19)
InChIKeyXKSAVFMVIBZCJU-UHFFFAOYSA-N
XLogP1.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide (CID 112523655) is 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide is Cc1nc2ccc(NC(=O)c3ccnn3C)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is XKSAVFMVIBZCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-15-10-4-3-9(7-11(10)16-8)17-13(19)12-5-6-14-18(12)2/h3-7H,1-2H3,(H,15,16)(H,17,19).
What are the key properties of 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide?
2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 112523655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).