N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H20F3N3O — CID 749632

IUPACN-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H20F3N3O/c1-10-8-12(14(15,16)17)18-20(10)9-13(21)19(2)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyFDDDEOUZYQAQLD-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.00
Rot. Bonds3

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

N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 749632) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID749632
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H20F3N3O/c1-10-8-12(14(15,16)17)18-20(10)9-13(21)19(2)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyFDDDEOUZYQAQLD-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 749632) is N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FDDDEOUZYQAQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-10-8-12(14(15,16)17)18-20(10)9-13(21)19(2)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 749632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).