5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

C21H28N6O — CID 26406476

About 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 26406476) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 26406476
• Molecular Formula: C21H28N6O
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.23
• IUPAC Name: 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
• SMILES: CC(C)N1CC[C@@H](CN(C)C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)C1
• InChI: InChI=1S/C21H28N6O/c1-15(2)26-9-8-16(12-26)11-25(3)21(28)19-10-17(23-24-19)13-27-14-22-18-6-4-5-7-20(18)27/h4-7,10,14-16H,8-9,11-13H2,1-3H3,(H,23,24)/t16-/m0/s1
• InChIKey: QJSXWBPMMXCASH-INIZCTEOSA-N
• XLogP: 2.61
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 26406476) is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is CC(C)N1CC[C@@H](CN(C)C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)C1.

What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

The InChIKey is QJSXWBPMMXCASH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15(2)26-9-8-16(12-26)11-25(3)21(28)19-10-17(23-24-19)13-27-14-22-18-6-4-5-7-20(18)27/h4-7,10,14-16H,8-9,11-13H2,1-3H3,(H,23,24)/t16-/m0/s1.

What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 26406476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).