2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide

C25H22FN3O2 — CID 42835609

IUPAC2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide
SMILESCC(C)c1[nH]n(-c2ccccc2)c(=O)c1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H22FN3O2/c1-16(2)23-22(25(31)29(28-23)19-8-4-3-5-9-19)17-12-14-18(15-13-17)27-24(30)20-10-6-7-11-21(20)26/h3-16,28H,1-2H3,(H,27,30)
InChIKeyLULGLGDLBIJUKZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.35
Rot. Bonds5

About 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide

2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide (PubChem CID 42835609) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide
PubChem CID42835609
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide
SMILESCC(C)c1[nH]n(-c2ccccc2)c(=O)c1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H22FN3O2/c1-16(2)23-22(25(31)29(28-23)19-8-4-3-5-9-19)17-12-14-18(15-13-17)27-24(30)20-10-6-7-11-21(20)26/h3-16,28H,1-2H3,(H,27,30)
InChIKeyLULGLGDLBIJUKZ-UHFFFAOYSA-N
XLogP5.35
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide (CID 42835609) is 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide is CC(C)c1[nH]n(-c2ccccc2)c(=O)c1-c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide?
The InChIKey is LULGLGDLBIJUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-16(2)23-22(25(31)29(28-23)19-8-4-3-5-9-19)17-12-14-18(15-13-17)27-24(30)20-10-6-7-11-21(20)26/h3-16,28H,1-2H3,(H,27,30).
What are the key properties of 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide?
2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 42835609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).