2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

C13H12F3N3O — CID 95741358

IUPAC2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-19-8-11(7-17-19)18-12(20)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,18,20)
InChIKeyWUXBBHVDJVAANF-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.63
Rot. Bonds4

About 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (PubChem CID 95741358) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
PubChem CID95741358
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-19-8-11(7-17-19)18-12(20)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,18,20)
InChIKeyWUXBBHVDJVAANF-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 120611080
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 150074108
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741219
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide
CID 99614811
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (CID 95741358) is 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is O=C(Cc1ccccc1)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The InChIKey is WUXBBHVDJVAANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-19-8-11(7-17-19)18-12(20)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,18,20).
What are the key properties of 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide has a molecular weight of 283.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 95741358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).