1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide

C23H25FN4O2 — CID 93227705

About 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 93227705) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
• PubChem CID: 93227705
• Molecular Formula: C23H25FN4O2
• Molecular Weight: 408.48 g/mol
• Exact Mass: 408.20
• IUPAC Name: 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
• SMILES: NC(=O)C1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)CC1
• InChI: InChI=1S/C23H25FN4O2/c24-19-8-6-16(7-9-19)20-14-21(17-4-2-1-3-5-17)28(26-20)22(29)15-27-12-10-18(11-13-27)23(25)30/h1-9,18,21H,10-15H2,(H2,25,30)/t21-/m0/s1
• InChIKey: WTICOGZKRFPXGO-NRFANRHFSA-N
• XLogP: 2.70
• TPSA: 79.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.48
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 93227705) is 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)CC1.

What is the InChIKey of 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?

The InChIKey is WTICOGZKRFPXGO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-8-6-16(7-9-19)20-14-21(17-4-2-1-3-5-17)28(26-20)22(29)15-27-12-10-18(11-13-27)23(25)30/h1-9,18,21H,10-15H2,(H2,25,30)/t21-/m0/s1.

What are the key properties of 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?

1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 93227705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).