N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide

C15H16ClF2N3O2 — CID 88589182

IUPACN-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
SMILESCON(Cc1ccc(C)cc1Cl)C(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H16ClF2N3O2/c1-9-4-5-10(12(16)6-9)7-21(23-3)15(22)11-8-20(2)19-13(11)14(17)18/h4-6,8,14H,7H2,1-3H3
InChIKeyDURSOGIFWNKZCC-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.52
Rot. Bonds5

About N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide

N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 88589182) has the molecular formula C15H16ClF2N3O2 and a molecular weight of 343.76 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID88589182
Molecular FormulaC15H16ClF2N3O2
Molecular Weight343.76 g/mol
Exact Mass343.09
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
SMILESCON(Cc1ccc(C)cc1Cl)C(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H16ClF2N3O2/c1-9-4-5-10(12(16)6-9)7-21(23-3)15(22)11-8-20(2)19-13(11)14(17)18/h4-6,8,14H,7H2,1-3H3
InChIKeyDURSOGIFWNKZCC-UHFFFAOYSA-N
XLogP3.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-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 N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide (CID 88589182) is N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide is CON(Cc1ccc(C)cc1Cl)C(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is DURSOGIFWNKZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2/c1-9-4-5-10(12(16)6-9)7-21(23-3)15(22)11-8-20(2)19-13(11)14(17)18/h4-6,8,14H,7H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 343.76 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 88589182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).