[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate

C16H17Cl2F2N3O3 — CID 67424789

IUPAC[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)NC(=O)Oc1cn(C)nc1C(F)F
InChIInChI=1S/C16H17Cl2F2N3O3/c1-8(14(25-3)10-5-4-9(17)6-11(10)18)21-16(24)26-12-7-23(2)22-13(12)15(19)20/h4-8,14-15H,1-3H3,(H,21,24)
InChIKeyZXZAFMLFGBGIPT-UHFFFAOYSA-N
MW408.23 g/mol
LogP4.53
Rot. Bonds6

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

[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate (PubChem CID 67424789) has the molecular formula C16H17Cl2F2N3O3 and a molecular weight of 408.23 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate
PubChem CID67424789
Molecular FormulaC16H17Cl2F2N3O3
Molecular Weight408.23 g/mol
Exact Mass407.06
IUPAC Name[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)NC(=O)Oc1cn(C)nc1C(F)F
InChIInChI=1S/C16H17Cl2F2N3O3/c1-8(14(25-3)10-5-4-9(17)6-11(10)18)21-16(24)26-12-7-23(2)22-13(12)15(19)20/h4-8,14-15H,1-3H3,(H,21,24)
InChIKeyZXZAFMLFGBGIPT-UHFFFAOYSA-N
XLogP4.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 25102833
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
(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide
CID 162609725
[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 66878522
N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-yl]-3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 54589414
1-(2,4-dichlorophenyl)propan-2-yl-propan-2-yloxyazanide;3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
CID 162194977
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate
CID 86788263
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
CID 163640824
N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 90008051
methyl 4-chloro-2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192222

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate?
The IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate (CID 67424789) is [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate.
What is the SMILES notation for [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate?
The canonical SMILES for [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate is COC(c1ccc(Cl)cc1Cl)C(C)NC(=O)Oc1cn(C)nc1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate?
The InChIKey is ZXZAFMLFGBGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2F2N3O3/c1-8(14(25-3)10-5-4-9(17)6-11(10)18)21-16(24)26-12-7-23(2)22-13(12)15(19)20/h4-8,14-15H,1-3H3,(H,21,24).
What are the key properties of [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate?
[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate has a molecular weight of 408.23 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 67424789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).