3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide

C27H26FN3O2 — CID 54767898

IUPAC3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NC(C)c3ccccc3)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C27H26FN3O2/c1-19(20-7-4-3-5-8-20)29-27(32)16-11-23-18-26(21-9-6-10-22(28)17-21)31(30-23)24-12-14-25(33-2)15-13-24/h3-10,12-15,17-19H,11,16H2,1-2H3,(H,29,32)
InChIKeyVFHMDMMRBYSOOL-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.50
Rot. Bonds8

About 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide

3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide (PubChem CID 54767898) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide
PubChem CID54767898
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NC(C)c3ccccc3)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C27H26FN3O2/c1-19(20-7-4-3-5-8-20)29-27(32)16-11-23-18-26(21-9-6-10-22(28)17-21)31(30-23)24-12-14-25(33-2)15-13-24/h3-10,12-15,17-19H,11,16H2,1-2H3,(H,29,32)
InChIKeyVFHMDMMRBYSOOL-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 154068932
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide
CID 54767742
N-[1-(3-fluoro-5-methylphenyl)-2-(methylamino)-2-oxoethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 54765674
methyl 2-[3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-(4-methoxy-3-methylphenyl)acetate
CID 54765497
N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603107
N-[(6-chloro-3-pyridinyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603288
N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide
CID 67997432
N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(2-methylpropoxy)phenyl]pyrazol-3-yl]propanamide
CID 67997587
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]propanamide
CID 123825300
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059
N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56602729
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 123902147

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide (CID 54767898) is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide is COc1ccc(-n2nc(CCC(=O)NC(C)c3ccccc3)cc2-c2cccc(F)c2)cc1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is VFHMDMMRBYSOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-19(20-7-4-3-5-8-20)29-27(32)16-11-23-18-26(21-9-6-10-22(28)17-21)31(30-23)24-12-14-25(33-2)15-13-24/h3-10,12-15,17-19H,11,16H2,1-2H3,(H,29,32).
What are the key properties of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide?
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 443.52 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 54767898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).