[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate

C13H10Cl2F3N3O2 — CID 21039554

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate
SMILESCn1cc(COC(=O)Nc2c(Cl)cccc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21-5-7(11(20-21)13(16,17)18)6-23-12(22)19-10-8(14)3-2-4-9(10)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyUFBXJMTWDNLGJE-UHFFFAOYSA-N
MW368.14 g/mol
LogP4.49
Rot. Bonds3

About [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate (PubChem CID 21039554) has the molecular formula C13H10Cl2F3N3O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate
PubChem CID21039554
Molecular FormulaC13H10Cl2F3N3O2
Molecular Weight368.14 g/mol
Exact Mass367.01
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate
SMILESCn1cc(COC(=O)Nc2c(Cl)cccc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21-5-7(11(20-21)13(16,17)18)6-23-12(22)19-10-8(14)3-2-4-9(10)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyUFBXJMTWDNLGJE-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

Analyze [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate (CID 21039554) is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate is Cn1cc(COC(=O)Nc2c(Cl)cccc2Cl)c(C(F)(F)F)n1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate?
The InChIKey is UFBXJMTWDNLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2/c1-21-5-7(11(20-21)13(16,17)18)6-23-12(22)19-10-8(14)3-2-4-9(10)15/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate?
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)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 [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate is sourced from PubChem (CID 21039554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).