(4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate

C13H11ClF3N3O2 — CID 1489921

IUPAC(4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C13H11ClF3N3O2/c1-20-6-10(11(19-20)13(15,16)17)18-12(21)22-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,18,21)
InChIKeyRFZKWVMPXOGLLQ-UHFFFAOYSA-N
MW333.70 g/mol
LogP3.84
Rot. Bonds3

About (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate

(4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (PubChem CID 1489921) has the molecular formula C13H11ClF3N3O2 and a molecular weight of 333.70 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
PubChem CID1489921
Molecular FormulaC13H11ClF3N3O2
Molecular Weight333.70 g/mol
Exact Mass333.05
IUPAC Name(4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C13H11ClF3N3O2/c1-20-6-10(11(19-20)13(15,16)17)18-12(21)22-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,18,21)
InChIKeyRFZKWVMPXOGLLQ-UHFFFAOYSA-N
XLogP3.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
CID 1472905
2,4-dichlorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
CID 3323365
benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
CID 1472904
(2,4-dichlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 3832715
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(2,6-dichlorophenyl)carbamate
CID 21039554
benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate
CID 46928460
[1-(5,5-Difluoro-hexyl)-1h-pyrazol-4-yl]-carbamic acid benzyl ester
CID 66928229
(3-methylphenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-4-yl]carbamate
CID 66928264
(6-chloro-2-fluoro-3-methylphenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-4-yl]carbamate
CID 66928390
(3-chlorophenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-4-yl]carbamate
CID 66928458
(2-chloro-6-fluoro-3-methylphenyl)methyl N-[1-(5-oxohexyl)pyrazol-4-yl]carbamate
CID 66928604
(2-fluorophenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-4-yl]carbamate
CID 66928625

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (CID 1489921) is (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is Cn1cc(NC(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1.
What is the InChIKey of (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The InChIKey is RFZKWVMPXOGLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2/c1-20-6-10(11(19-20)13(15,16)17)18-12(21)22-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,18,21).
What are the key properties of (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
(4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate has a molecular weight of 333.70 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 1489921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).