N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide

C11H7ClF3N3O — CID 57308674

IUPACN-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccn(-c2cccc(Cl)c2)n1)C(F)(F)F
InChIInChI=1S/C11H7ClF3N3O/c12-7-2-1-3-8(6-7)18-5-4-9(17-18)16-10(19)11(13,14)15/h1-6H,(H,16,17,19)
InChIKeyHYUYATMUEJTTFL-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.03
Rot. Bonds2

About N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide

N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 57308674) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID57308674
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC NameN-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccn(-c2cccc(Cl)c2)n1)C(F)(F)F
InChIInChI=1S/C11H7ClF3N3O/c12-7-2-1-3-8(6-7)18-5-4-9(17-18)16-10(19)11(13,14)15/h1-6H,(H,16,17,19)
InChIKeyHYUYATMUEJTTFL-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808886
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]acetamide
CID 1247534
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
CID 71993390
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
CID 155568071
1-(3-chlorophenyl)-1H-pyrazol-5-amine
CID 21812831
2,2,2-trifluoro-N-((1-phenyl-1H-pyrazol-3-yl)carbamoyl)acetamide
CID 1540563
N-[2-(4-chlorophenyl)pyrazol-3-yl]-3-ethoxypropanamide
CID 72118219
3-Ureido-1-phenylpyrazole
CID 129786672

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide (CID 57308674) is N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide is O=C(Nc1ccn(-c2cccc(Cl)c2)n1)C(F)(F)F.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is HYUYATMUEJTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-7-2-1-3-8(6-7)18-5-4-9(17-18)16-10(19)11(13,14)15/h1-6H,(H,16,17,19).
What are the key properties of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 289.64 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57308674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).