3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole

C12H11ClN2O2 — CID 155932329

IUPAC3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole
SMILESClc1ccc(-c2cc(C3OCCO3)[nH]n2)cc1
InChIInChI=1S/C12H11ClN2O2/c13-9-3-1-8(2-4-9)10-7-11(15-14-10)12-16-5-6-17-12/h1-4,7,12H,5-6H2,(H,14,15)
InChIKeyZXMHBTXMAAYACV-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.78
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole

3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole (PubChem CID 155932329) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole
PubChem CID155932329
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole
SMILESClc1ccc(-c2cc(C3OCCO3)[nH]n2)cc1
InChIInChI=1S/C12H11ClN2O2/c13-9-3-1-8(2-4-9)10-7-11(15-14-10)12-16-5-6-17-12/h1-4,7,12H,5-6H2,(H,14,15)
InChIKeyZXMHBTXMAAYACV-UHFFFAOYSA-N
XLogP2.78
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole 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 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole (CID 155932329) is 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole is Clc1ccc(-c2cc(C3OCCO3)[nH]n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole?
The InChIKey is ZXMHBTXMAAYACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-9-3-1-8(2-4-9)10-7-11(15-14-10)12-16-5-6-17-12/h1-4,7,12H,5-6H2,(H,14,15).
What are the key properties of 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole?
3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole has a molecular weight of 250.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 155932329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).