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

C16H17Cl2F2N3O2 — CID 25102833

IUPACN-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C16H17Cl2F2N3O2/c1-8(14(25-3)10-5-4-9(17)6-12(10)18)21-16(24)11-7-23(2)22-13(11)15(19)20/h4-8,14-15H,1-3H3,(H,21,24)
InChIKeyCAGKXPHIFFSYLL-UHFFFAOYSA-N
MW392.23 g/mol
LogP4.17
Rot. Bonds6

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

N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 25102833) has the molecular formula C16H17Cl2F2N3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID25102833
Molecular FormulaC16H17Cl2F2N3O2
Molecular Weight392.23 g/mol
Exact Mass391.07
IUPAC NameN-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C16H17Cl2F2N3O2/c1-8(14(25-3)10-5-4-9(17)6-12(10)18)21-16(24)11-7-23(2)22-13(11)15(19)20/h4-8,14-15H,1-3H3,(H,21,24)
InChIKeyCAGKXPHIFFSYLL-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate
CID 67424789
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]decan-1-amine;3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
CID 159266149
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88925294
(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide
CID 162609725
N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 54589414
3-(difluoromethyl)-1-methyl-N-(1-pyrimidin-5-ylethyl)pyrazole-4-carboxamide
CID 171682394
1-(2,4-dichlorophenyl)propan-2-yl-propan-2-yloxyazanide;3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
CID 162194977
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59580171
N-[(2-chloro-4-methylphenyl)methyl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88589182
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 25102833) is N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is COC(c1ccc(Cl)cc1Cl)C(C)NC(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is CAGKXPHIFFSYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2F2N3O2/c1-8(14(25-3)10-5-4-9(17)6-12(10)18)21-16(24)11-7-23(2)22-13(11)15(19)20/h4-8,14-15H,1-3H3,(H,21,24).
What are the key properties of N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 392.23 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 25102833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).