N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide

C25H27FN4O2 — CID 3538346

IUPACN-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide
SMILESCc1nn(-c2cccc(F)c2)c(NC(=O)CCC(=O)N2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C25H27FN4O2/c1-18-24(19-9-4-2-5-10-19)25(30(28-18)21-12-8-11-20(26)17-21)27-22(31)13-14-23(32)29-15-6-3-7-16-29/h2,4-5,8-12,17H,3,6-7,13-16H2,1H3,(H,27,31)
InChIKeyGNUMLSJDPVLQSB-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.72
Rot. Bonds6

About N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide

N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide (PubChem CID 3538346) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide
PubChem CID3538346
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide
SMILESCc1nn(-c2cccc(F)c2)c(NC(=O)CCC(=O)N2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C25H27FN4O2/c1-18-24(19-9-4-2-5-10-19)25(30(28-18)21-12-8-11-20(26)17-21)27-22(31)13-14-23(32)29-15-6-3-7-16-29/h2,4-5,8-12,17H,3,6-7,13-16H2,1H3,(H,27,31)
InChIKeyGNUMLSJDPVLQSB-UHFFFAOYSA-N
XLogP4.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide (CID 3538346) is N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide is Cc1nn(-c2cccc(F)c2)c(NC(=O)CCC(=O)N2CCCCC2)c1-c1ccccc1.
What is the InChIKey of N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The InChIKey is GNUMLSJDPVLQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-18-24(19-9-4-2-5-10-19)25(30(28-18)21-12-8-11-20(26)17-21)27-22(31)13-14-23(32)29-15-6-3-7-16-29/h2,4-5,8-12,17H,3,6-7,13-16H2,1H3,(H,27,31).
What are the key properties of N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide?
N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide has a molecular weight of 434.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 3538346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).