N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide

C27H32F3N5O2 — CID 171684446

About N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide

N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide (PubChem CID 171684446) has the molecular formula C27H32F3N5O2 and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
• PubChem CID: 171684446
• Molecular Formula: C27H32F3N5O2
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.25
• IUPAC Name: N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
• SMILES: Cc1ccc(C(C)C(=O)N2CCCCC2c2cc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)n[nH]2)cc1
• InChI: InChI=1S/C27H32F3N5O2/c1-16(2)34-14-20(21(15-34)27(28,29)30)25(36)31-24-13-22(32-33-24)23-7-5-6-12-35(23)26(37)18(4)19-10-8-17(3)9-11-19/h8-11,13-16,18,23H,5-7,12H2,1-4H3,(H2,31,32,33,36)
• InChIKey: LZNUYFSTJZEIKF-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 83.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide?

The IUPAC name of N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide (CID 171684446) is N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide.

What is the SMILES notation for N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide?

The canonical SMILES for N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide is Cc1ccc(C(C)C(=O)N2CCCCC2c2cc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)n[nH]2)cc1.

What is the InChIKey of N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide?

The InChIKey is LZNUYFSTJZEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O2/c1-16(2)34-14-20(21(15-34)27(28,29)30)25(36)31-24-13-22(32-33-24)23-7-5-6-12-35(23)26(37)18(4)19-10-8-17(3)9-11-19/h8-11,13-16,18,23H,5-7,12H2,1-4H3,(H2,31,32,33,36).

What are the key properties of N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide?

N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide has a molecular weight of 515.58 g/mol, XLogP of 6.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 171684446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).