N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide

C12H18F3N3O — CID 134847042

IUPACN-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nc(C)cc1C(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-3-4-5-6-7-16-11(19)18-10(12(13,14)15)8-9(2)17-18/h8H,3-7H2,1-2H3,(H,16,19)
InChIKeyOSGDWQSARVBUOD-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.35
Rot. Bonds5

About N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide

N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 134847042) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID134847042
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nc(C)cc1C(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-3-4-5-6-7-16-11(19)18-10(12(13,14)15)8-9(2)17-18/h8H,3-7H2,1-2H3,(H,16,19)
InChIKeyOSGDWQSARVBUOD-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide 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

3,5-Dimethyl-1H-pyrazole-1-carboxamide
CID 70280
1H-pyrazole-1-carboxamide, N,3,5-trimethyl-
CID 335097
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597454
N-hexyl-5-methyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597460
N-cyclohexyl-3,5-dimethyl-1H-pyrazole-1-carboxamide
CID 746858
1-cyclohexyl-3-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)urea
CID 49670904
N-hexyl-3,5-dimethylpyrazole-1-carboxamide
CID 11579460
1-cyclohexyl-3-{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}urea
CID 17026395
1-cyclohexyl-3-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}urea
CID 17026411
1-[(1,5-Dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea
CID 25119847
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 68776722
N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 90998747

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide (CID 134847042) is N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide is CCCCCCNC(=O)n1nc(C)cc1C(F)(F)F.
What is the InChIKey of N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is OSGDWQSARVBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-4-5-6-7-16-11(19)18-10(12(13,14)15)8-9(2)17-18/h8H,3-7H2,1-2H3,(H,16,19).
What are the key properties of N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 134847042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).