N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide

C12H9ClF3N3O — CID 110690000

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3O/c13-8-2-3-10(9(6-8)12(14,15)16)18-11(20)7-19-5-1-4-17-19/h1-6H,7H2,(H,18,20)
InChIKeyHJGFBGKVCGCNAN-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.19
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 110690000) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
PubChem CID110690000
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3O/c13-8-2-3-10(9(6-8)12(14,15)16)18-11(20)7-19-5-1-4-17-19/h1-6H,7H2,(H,18,20)
InChIKeyHJGFBGKVCGCNAN-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508170
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
CID 79766967
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455
N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840176
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157692
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]acetamide
CID 97076693
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide (CID 110690000) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide?
The InChIKey is HJGFBGKVCGCNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c13-8-2-3-10(9(6-8)12(14,15)16)18-11(20)7-19-5-1-4-17-19/h1-6H,7H2,(H,18,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 303.67 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 110690000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).