3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide

C16H19F2N3O2 — CID 86580821

IUPAC3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)F)C(C)Cc1ccccc1
InChIInChI=1S/C16H19F2N3O2/c1-11(9-12-7-5-4-6-8-12)21(23-3)16(22)13-10-20(2)19-14(13)15(17)18/h4-8,10-11,15H,9H2,1-3H3
InChIKeyXKDRDLNBSRCAGQ-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.99
Rot. Bonds6

About 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide

3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide (PubChem CID 86580821) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide
PubChem CID86580821
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)F)C(C)Cc1ccccc1
InChIInChI=1S/C16H19F2N3O2/c1-11(9-12-7-5-4-6-8-12)21(23-3)16(22)13-10-20(2)19-14(13)15(17)18/h4-8,10-11,15H,9H2,1-3H3
InChIKeyXKDRDLNBSRCAGQ-UHFFFAOYSA-N
XLogP2.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.99
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

2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-methoxyamino]propyl acetate
CID 87514130
N-[1-(2-bromo-4,5-dichlorothiophen-3-yl)propan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 46853074
3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 123888869
N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 54589414
N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 172854849
N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 88877150
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino] benzoate
CID 174990293
3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88925294
5-chloro-3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide
CID 86580820
N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 132556059
3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde;3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;hydrogen peroxide
CID 162250652

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide (CID 86580821) is 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide is CON(C(=O)c1cn(C)nc1C(F)F)C(C)Cc1ccccc1.
What is the InChIKey of 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is XKDRDLNBSRCAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-11(9-12-7-5-4-6-8-12)21(23-3)16(22)13-10-20(2)19-14(13)15(17)18/h4-8,10-11,15H,9H2,1-3H3.
What are the key properties of 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide?
3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 2.99, 6 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-phenylpropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86580821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).