5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C20H21N7O — CID 56758151

About 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 56758151) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
• PubChem CID: 56758151
• Molecular Formula: C20H21N7O
• Molecular Weight: 375.44 g/mol
• Exact Mass: 375.18
• IUPAC Name: 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
• SMILES: CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
• InChI: InChI=1S/C20H21N7O/c1-26(10-14-8-17(24-22-14)13-6-7-13)20(28)18-9-15(23-25-18)11-27-12-21-16-4-2-3-5-19(16)27/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,22,24)(H,23,25)
• InChIKey: TWHFJCWOUGDKHB-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 95.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.44
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 56758151) is 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1.

What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?

The InChIKey is TWHFJCWOUGDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-26(10-14-8-17(24-22-14)13-6-7-13)20(28)18-9-15(23-25-18)11-27-12-21-16-4-2-3-5-19(16)27/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,22,24)(H,23,25).

What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?

5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56758151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).