5-(3,4-dichlorophenyl)-1H-pyrazole

C9H6Cl2N2 — CID 2736075

IUPAC5-(3,4-dichlorophenyl)-1H-pyrazole
SMILESClc1ccc(-c2ccn[nH]2)cc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyQQXLTXZREKUSII-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.38
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1H-pyrazole

5-(3,4-dichlorophenyl)-1H-pyrazole (PubChem CID 2736075) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1H-pyrazole
PubChem CID2736075
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name5-(3,4-dichlorophenyl)-1H-pyrazole
SMILESClc1ccc(-c2ccn[nH]2)cc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyQQXLTXZREKUSII-UHFFFAOYSA-N
XLogP3.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3,4-dichlorophenyl)-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 5-(3,4-dichlorophenyl)-1H-pyrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1H-pyrazole (CID 2736075) is 5-(3,4-dichlorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1H-pyrazole is Clc1ccc(-c2ccn[nH]2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1H-pyrazole?
The InChIKey is QQXLTXZREKUSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13).
What are the key properties of 5-(3,4-dichlorophenyl)-1H-pyrazole?
5-(3,4-dichlorophenyl)-1H-pyrazole has a molecular weight of 213.07 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1H-pyrazole is sourced from PubChem (CID 2736075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).