5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide

C17H19F2N5O — CID 118778051

About 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 118778051) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 118778051
• Molecular Formula: C17H19F2N5O
• Molecular Weight: 347.37 g/mol
• Exact Mass: 347.16
• IUPAC Name: 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
• SMILES: Cc1ccc2nc(C(NC(=O)c3cc(C(F)F)[nH]n3)C(C)C)[nH]c2c1
• InChI: InChI=1S/C17H19F2N5O/c1-8(2)14(16-20-10-5-4-9(3)6-11(10)21-16)22-17(25)13-7-12(15(18)19)23-24-13/h4-8,14-15H,1-3H3,(H,20,21)(H,22,25)(H,23,24)
• InChIKey: TZNFWFUKIVUGLV-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.37
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide (CID 118778051) is 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide is Cc1ccc2nc(C(NC(=O)c3cc(C(F)F)[nH]n3)C(C)C)[nH]c2c1.

What is the InChIKey of 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?

The InChIKey is TZNFWFUKIVUGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-8(2)14(16-20-10-5-4-9(3)6-11(10)21-16)22-17(25)13-7-12(15(18)19)23-24-13/h4-8,14-15H,1-3H3,(H,20,21)(H,22,25)(H,23,24).

What are the key properties of 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?

5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118778051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).