N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H13ClF3N3O2 — CID 1113748

IUPACN-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1
InChIInChI=1S/C15H13ClF3N3O2/c1-8-13(16)14(15(17,18)19)21-22(8)7-12(24)20-11-5-3-4-10(6-11)9(2)23/h3-6H,7H2,1-2H3,(H,20,24)
InChIKeyFAFQOLQQEBRKLU-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.71
Rot. Bonds4

About N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 1113748) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID1113748
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC NameN-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1
InChIInChI=1S/C15H13ClF3N3O2/c1-8-13(16)14(15(17,18)19)21-22(8)7-12(24)20-11-5-3-4-10(6-11)9(2)23/h3-6H,7H2,1-2H3,(H,20,24)
InChIKeyFAFQOLQQEBRKLU-UHFFFAOYSA-N
XLogP3.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 1113748) is N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FAFQOLQQEBRKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2/c1-8-13(16)14(15(17,18)19)21-22(8)7-12(24)20-11-5-3-4-10(6-11)9(2)23/h3-6H,7H2,1-2H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 359.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 1113748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).