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

C11H16F3N3O — CID 132597454

IUPACN-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-2-3-4-5-7-15-10(18)17-8-6-9(16-17)11(12,13)14/h6,8H,2-5,7H2,1H3,(H,15,18)
InChIKeyJCXONOQZEZOAML-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.04
Rot. Bonds5

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

N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 132597454) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID132597454
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-2-3-4-5-7-15-10(18)17-8-6-9(16-17)11(12,13)14/h6,8H,2-5,7H2,1H3,(H,15,18)
InChIKeyJCXONOQZEZOAML-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3(or 5)-Methyl-1H-pyrazole-1-carboxamide
CID 242452
N-hexyl-3-methyl-5-(trifluoromethyl)pyrazole-1-carboxamide
CID 134847042
1H-Pyrazole-1-carboxamide, N,N'-1,6-hexanediylbis(3(or 5)-methyl-
CID 3073191
1H-Pyrazole-1-carboxamide, N,N'-1,4-butanediylbis(3(or 5)-methyl-
CID 3073192
1H-Pyrazole-1-carboxamide, N-(6-chlorohexyl)-3-methyl-
CID 175541
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448755
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
N-hexyl-5-methyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597460
1-cyclohexyl-3-{1-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}urea
CID 17026430
N-Cyclohexyl-N'-{2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}urea
CID 19590442

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide (CID 132597454) is N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide is CCCCCCNC(=O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is JCXONOQZEZOAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-3-4-5-7-15-10(18)17-8-6-9(16-17)11(12,13)14/h6,8H,2-5,7H2,1H3,(H,15,18).
What are the key properties of N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 132597454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).