[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate

C17H12Cl2N2O2 — CID 141115200

IUPAC[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate
SMILESCC(=O)Oc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2/c1-11(22)23-16-10-20-21(15-5-3-2-4-14(15)19)17(16)12-6-8-13(18)9-7-12/h2-10H,1H3
InChIKeyRUGQNSZWNFILCC-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.77
Rot. Bonds3

About [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate

[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate (PubChem CID 141115200) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate
PubChem CID141115200
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate
SMILESCC(=O)Oc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2/c1-11(22)23-16-10-20-21(15-5-3-2-4-14(15)19)17(16)12-6-8-13(18)9-7-12/h2-10H,1H3
InChIKeyRUGQNSZWNFILCC-UHFFFAOYSA-N
XLogP4.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate 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-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?
The IUPAC name of [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate (CID 141115200) is [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate.
What is the SMILES notation for [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?
The canonical SMILES for [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate is CC(=O)Oc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?
The InChIKey is RUGQNSZWNFILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-11(22)23-16-10-20-21(15-5-3-2-4-14(15)19)17(16)12-6-8-13(18)9-7-12/h2-10H,1H3.
What are the key properties of [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?
[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate has a molecular weight of 347.20 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate is sourced from PubChem (CID 141115200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).