3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide

C16H23F2N3O2 — CID 53348218

IUPAC3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)F)C(C)C1CC=C(C)CC1
InChIInChI=1S/C16H23F2N3O2/c1-10-5-7-12(8-6-10)11(2)21(23-4)16(22)13-9-20(3)19-14(13)15(17)18/h5,9,11-12,15H,6-8H2,1-4H3
InChIKeyKTHBJMLGJKNILV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds5

About 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide

3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 53348218) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID53348218
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)F)C(C)C1CC=C(C)CC1
InChIInChI=1S/C16H23F2N3O2/c1-10-5-7-12(8-6-10)11(2)21(23-4)16(22)13-9-20(3)19-14(13)15(17)18/h5,9,11-12,15H,6-8H2,1-4H3
InChIKeyKTHBJMLGJKNILV-UHFFFAOYSA-N
XLogP3.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.50
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'}

Analyze 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide 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 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide (CID 53348218) is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide is CON(C(=O)c1cn(C)nc1C(F)F)C(C)C1CC=C(C)CC1.
What is the InChIKey of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is KTHBJMLGJKNILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-10-5-7-12(8-6-10)11(2)21(23-4)16(22)13-9-20(3)19-14(13)15(17)18/h5,9,11-12,15H,6-8H2,1-4H3.
What are the key properties of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide?
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(4-methylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 53348218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).