2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

C15H16F3N3O2 — CID 38815595

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H16F3N3O2/c1-10-7-11(2)21(20-10)9-14(22)19-8-12-3-5-13(6-4-12)23-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyIFHJMOLPQNOYMG-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.71
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 38815595) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID38815595
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H16F3N3O2/c1-10-7-11(2)21(20-10)9-14(22)19-8-12-3-5-13(6-4-12)23-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyIFHJMOLPQNOYMG-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-Methoxy-benzyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 3106231
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
2-Isopropyl-3-(4-trifluoromethoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 59752538
N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129709
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-methoxybenzyl)butanamide
CID 5056530
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308627
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-[1-(4-ethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24817666
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 787892

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (CID 38815595) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is Cc1cc(C)n(CC(=O)NCc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is IFHJMOLPQNOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-7-11(2)21(20-10)9-14(22)19-8-12-3-5-13(6-4-12)23-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 38815595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).