(2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate

C13H10Cl2F3N3O2 — CID 3832715

IUPAC(2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OCc2ccc(Cl)cc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21-5-10(11(20-21)13(16,17)18)19-12(22)23-6-7-2-3-8(14)4-9(7)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyLUDRKKZXCOZNJJ-UHFFFAOYSA-N
MW368.14 g/mol
LogP4.49
Rot. Bonds3

About (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate

(2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (PubChem CID 3832715) has the molecular formula C13H10Cl2F3N3O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
PubChem CID3832715
Molecular FormulaC13H10Cl2F3N3O2
Molecular Weight368.14 g/mol
Exact Mass367.01
IUPAC Name(2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OCc2ccc(Cl)cc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21-5-10(11(20-21)13(16,17)18)19-12(22)23-6-7-2-3-8(14)4-9(7)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyLUDRKKZXCOZNJJ-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (CID 3832715) is (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is Cn1cc(NC(=O)OCc2ccc(Cl)cc2Cl)c(C(F)(F)F)n1.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The InChIKey is LUDRKKZXCOZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2/c1-21-5-10(11(20-21)13(16,17)18)19-12(22)23-6-7-2-3-8(14)4-9(7)15/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
(2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate has a molecular weight of 368.14 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 3832715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).