2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide

C19H18FN3O — CID 28768115

IUPAC2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@H](Cn1cccn1)c1ccccc1
InChIInChI=1S/C19H18FN3O/c20-17-9-7-15(8-10-17)13-19(24)22-18(14-23-12-4-11-21-23)16-5-2-1-3-6-16/h1-12,18H,13-14H2,(H,22,24)/t18-/m1/s1
InChIKeyYLZPUCUEXYNDED-GOSISDBHSA-N
MW323.37 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide

2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide (PubChem CID 28768115) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
PubChem CID28768115
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@H](Cn1cccn1)c1ccccc1
InChIInChI=1S/C19H18FN3O/c20-17-9-7-15(8-10-17)13-19(24)22-18(14-23-12-4-11-21-23)16-5-2-1-3-6-16/h1-12,18H,13-14H2,(H,22,24)/t18-/m1/s1
InChIKeyYLZPUCUEXYNDED-GOSISDBHSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide (CID 28768115) is 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide is O=C(Cc1ccc(F)cc1)N[C@H](Cn1cccn1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
The InChIKey is YLZPUCUEXYNDED-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-17-9-7-15(8-10-17)13-19(24)22-18(14-23-12-4-11-21-23)16-5-2-1-3-6-16/h1-12,18H,13-14H2,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide is sourced from PubChem (CID 28768115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).