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

C23H25FN4O2 — CID 46030395

IUPAC1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2N=C(c3ccc(F)cc3)CC2c2ccccc2)CC1
InChIInChI=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)
InChIKeyWTICOGZKRFPXGO-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.70
Rot. Bonds5

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

1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 46030395) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID46030395
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2N=C(c3ccc(F)cc3)CC2c2ccccc2)CC1
InChIInChI=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)
InChIKeyWTICOGZKRFPXGO-UHFFFAOYSA-N
XLogP2.70
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 46030395) is 1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[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)CC2c2ccccc2)CC1.
What is the InChIKey of 1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WTICOGZKRFPXGO-UHFFFAOYSA-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).
What are the key properties of 1-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[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-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46030395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).