(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate

C18H15Cl2N3O2 — CID 1476568

IUPAC(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate
SMILESCn1nc(-c2ccccc2)c(COC(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-23-17(20)15(16(22-23)12-5-3-2-4-6-12)11-25-18(24)21-14-9-7-13(19)8-10-14/h2-10H,11H2,1H3,(H,21,24)
InChIKeyWEQIYRYMWSQGKJ-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.14
Rot. Bonds4

About (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate

(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate (PubChem CID 1476568) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate
PubChem CID1476568
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate
SMILESCn1nc(-c2ccccc2)c(COC(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-23-17(20)15(16(22-23)12-5-3-2-4-6-12)11-25-18(24)21-14-9-7-13(19)8-10-14/h2-10H,11H2,1H3,(H,21,24)
InChIKeyWEQIYRYMWSQGKJ-UHFFFAOYSA-N
XLogP5.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate?
The IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate (CID 1476568) is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate is Cn1nc(-c2ccccc2)c(COC(=O)Nc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate?
The InChIKey is WEQIYRYMWSQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-23-17(20)15(16(22-23)12-5-3-2-4-6-12)11-25-18(24)21-14-9-7-13(19)8-10-14/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate?
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate has a molecular weight of 376.24 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 1476568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).