3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide

C15H17F2N3O2 — CID 123888869

IUPAC3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCON(Cc1cccc(C)c1)C(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H17F2N3O2/c1-10-5-4-6-11(7-10)8-20(22-3)15(21)12-9-19(2)18-13(12)14(16)17/h4-7,9,14H,8H2,1-3H3
InChIKeyBJCILARMRBRMEQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.87
Rot. Bonds5

About 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide

3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 123888869) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID123888869
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCON(Cc1cccc(C)c1)C(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H17F2N3O2/c1-10-5-4-6-11(7-10)8-20(22-3)15(21)12-9-19(2)18-13(12)14(16)17/h4-7,9,14H,8H2,1-3H3
InChIKeyBJCILARMRBRMEQ-UHFFFAOYSA-N
XLogP2.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88589182
3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide
CID 86580821
N-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 58443671
2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-methoxyamino]propyl acetate
CID 87514130
N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 54589414
2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 51586593
1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
CID 158964319
3-methyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 63274913
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
N-fluoro-2,2-dimethoxy-N-[(3-methylphenyl)methyl]ethanamine
CID 174632822
N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 175972125
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243155

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide (CID 123888869) is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide is CON(Cc1cccc(C)c1)C(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is BJCILARMRBRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-10-5-4-6-11(7-10)8-20(22-3)15(21)12-9-19(2)18-13(12)14(16)17/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.87, 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-[(3-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 123888869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).