N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide

C16H16Cl2F3N3O2 — CID 54589414

IUPACN-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)F)C(CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2F3N3O2/c1-23-8-12(14(22-23)15(20)21)16(25)24(26-2)11(7-19)5-9-3-4-10(17)6-13(9)18/h3-4,6,8,11,15H,5,7H2,1-2H3
InChIKeyWJCBVVOBZJWVCO-UHFFFAOYSA-N
MW410.22 g/mol
LogP4.25
Rot. Bonds7

About N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide

N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 54589414) has the molecular formula C16H16Cl2F3N3O2 and a molecular weight of 410.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID54589414
Molecular FormulaC16H16Cl2F3N3O2
Molecular Weight410.22 g/mol
Exact Mass409.06
IUPAC NameN-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)F)C(CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2F3N3O2/c1-23-8-12(14(22-23)15(20)21)16(25)24(26-2)11(7-19)5-9-3-4-10(17)6-13(9)18/h3-4,6,8,11,15H,5,7H2,1-2H3
InChIKeyWJCBVVOBZJWVCO-UHFFFAOYSA-N
XLogP4.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 54.25
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-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 88877150
N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88589182
1-(2,4-dichlorophenyl)propan-2-yl-propan-2-yloxyazanide;3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
CID 162194977
3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-phenylpropan-2-yl)pyrazole-4-carboxamide
CID 86580821
N-[1-(2-bromo-4,5-dichlorothiophen-3-yl)propan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 46853074
2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-methoxyamino]propyl acetate
CID 87514130
4-(2,4-dichlorophenyl)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-methoxy-3-methylbutan-1-one
CID 146709649
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 25102833
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-(1-fluoroethyl)-N-methoxy-1-methyl-N-[(E)-1-(2,4,6-trichlorophenyl)prop-1-en-2-yl]pyrazole-4-carboxamide
CID 121288855
N-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 58443671

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide (CID 54589414) is N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide is CON(C(=O)c1cn(C)nc1C(F)F)C(CF)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is WJCBVVOBZJWVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2F3N3O2/c1-23-8-12(14(22-23)15(20)21)16(25)24(26-2)11(7-19)5-9-3-4-10(17)6-13(9)18/h3-4,6,8,11,15H,5,7H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide?
N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 410.22 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 54589414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).