5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C27H29F3N4O — CID 55845431

About 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55845431) has the molecular formula C27H29F3N4O and a molecular weight of 482.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• PubChem CID: 55845431
• Molecular Formula: C27H29F3N4O
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.23
• IUPAC Name: 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• SMILES: Cc1cccc(CN2CCC(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)CC2)c1
• InChI: InChI=1S/C27H29F3N4O/c1-18-4-2-5-19(14-18)17-33-12-10-22(11-13-33)32-26(35)24-16-31-34(25(24)20-8-9-20)23-7-3-6-21(15-23)27(28,29)30/h2-7,14-16,20,22H,8-13,17H2,1H3,(H,32,35)
• InChIKey: DFZLLFHDMHPKEZ-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 55845431) is 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1cccc(CN2CCC(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)CC2)c1.

What is the InChIKey of 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The InChIKey is DFZLLFHDMHPKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O/c1-18-4-2-5-19(14-18)17-33-12-10-22(11-13-33)32-26(35)24-16-31-34(25(24)20-8-9-20)23-7-3-6-21(15-23)27(28,29)30/h2-7,14-16,20,22H,8-13,17H2,1H3,(H,32,35).

What are the key properties of 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55845431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).