(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide

C25H27FN4O2 — CID 92579896

About (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide

(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 92579896) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
• PubChem CID: 92579896
• Molecular Formula: C25H27FN4O2
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.21
• IUPAC Name: (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
• SMILES: CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn[nH]2)C1
• InChI: InChI=1S/C25H27FN4O2/c1-17(2)28-24(32)25(12-14-30(16-25)23(31)22-11-13-27-29-22)15-18-7-3-4-8-19(18)20-9-5-6-10-21(20)26/h3-11,13,17H,12,14-16H2,1-2H3,(H,27,29)(H,28,32)/t25-/m1/s1
• InChIKey: PHFYPQQEIIAUSQ-RUZDIDTESA-N
• XLogP: 3.82
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide (CID 92579896) is (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide is CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn[nH]2)C1.

What is the InChIKey of (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?

The InChIKey is PHFYPQQEIIAUSQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17(2)28-24(32)25(12-14-30(16-25)23(31)22-11-13-27-29-22)15-18-7-3-4-8-19(18)20-9-5-6-10-21(20)26/h3-11,13,17H,12,14-16H2,1-2H3,(H,27,29)(H,28,32)/t25-/m1/s1.

What are the key properties of (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?

(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92579896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).