(2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate

C13H12Cl3N3O2 — CID 3323365

IUPAC(2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
SMILESCc1nn(C)c(Cl)c1NC(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl3N3O2/c1-7-11(12(16)19(2)18-7)17-13(20)21-6-8-3-4-9(14)5-10(8)15/h3-5H,6H2,1-2H3,(H,17,20)
InChIKeyHLYZKMCHUPJAEN-UHFFFAOYSA-N
MW348.62 g/mol
LogP4.44
Rot. Bonds3

About (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate

(2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate (PubChem CID 3323365) has the molecular formula C13H12Cl3N3O2 and a molecular weight of 348.62 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
PubChem CID3323365
Molecular FormulaC13H12Cl3N3O2
Molecular Weight348.62 g/mol
Exact Mass347.00
IUPAC Name(2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
SMILESCc1nn(C)c(Cl)c1NC(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl3N3O2/c1-7-11(12(16)19(2)18-7)17-13(20)21-6-8-3-4-9(14)5-10(8)15/h3-5H,6H2,1-2H3,(H,17,20)
InChIKeyHLYZKMCHUPJAEN-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 54.44
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-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate (CID 3323365) is (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate is Cc1nn(C)c(Cl)c1NC(=O)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
The InChIKey is HLYZKMCHUPJAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3O2/c1-7-11(12(16)19(2)18-7)17-13(20)21-6-8-3-4-9(14)5-10(8)15/h3-5H,6H2,1-2H3,(H,17,20).
What are the key properties of (2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
(2,4-dichlorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate has a molecular weight of 348.62 g/mol, XLogP of 4.44, 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-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate is sourced from PubChem (CID 3323365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).