N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C15H20F3N3O2 — CID 53371681

IUPACN-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)(F)F)C(C)C1CC=CCC1
InChIInChI=1S/C15H20F3N3O2/c1-10(11-7-5-4-6-8-11)21(23-3)14(22)12-9-20(2)19-13(12)15(16,17)18/h4-5,9-11H,6-8H2,1-3H3
InChIKeyWSBIUFLAZWRZKV-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.19
Rot. Bonds4

About N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 53371681) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID53371681
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)(F)F)C(C)C1CC=CCC1
InChIInChI=1S/C15H20F3N3O2/c1-10(11-7-5-4-6-8-11)21(23-3)14(22)12-9-20(2)19-13(12)15(16,17)18/h4-5,9-11H,6-8H2,1-3H3
InChIKeyWSBIUFLAZWRZKV-UHFFFAOYSA-N
XLogP3.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 53371681) is N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CON(C(=O)c1cn(C)nc1C(F)(F)F)C(C)C1CC=CCC1.
What is the InChIKey of N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WSBIUFLAZWRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10(11-7-5-4-6-8-11)21(23-3)14(22)12-9-20(2)19-13(12)15(16,17)18/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohex-3-en-1-ylethyl)-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53371681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).