2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide

C17H13Cl2N3O — CID 90095824

IUPAC2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C17H13Cl2N3O/c1-21(17(23)12-6-2-3-7-13(12)18)16-10-11-22(20-16)15-9-5-4-8-14(15)19/h2-11H,1H3
InChIKeyARTRLPANMIOXME-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.46
Rot. Bonds3

About 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide

2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide (PubChem CID 90095824) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide
PubChem CID90095824
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C17H13Cl2N3O/c1-21(17(23)12-6-2-3-7-13(12)18)16-10-11-22(20-16)15-9-5-4-8-14(15)19/h2-11H,1H3
InChIKeyARTRLPANMIOXME-UHFFFAOYSA-N
XLogP4.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide (CID 90095824) is 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1Cl)c1ccn(-c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide?
The InChIKey is ARTRLPANMIOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-21(17(23)12-6-2-3-7-13(12)18)16-10-11-22(20-16)15-9-5-4-8-14(15)19/h2-11H,1H3.
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide?
2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide has a molecular weight of 346.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide is sourced from PubChem (CID 90095824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).