1-(3,4-dichlorophenyl)pyrazole

C9H6Cl2N2 — CID 20572459

IUPAC1-(3,4-dichlorophenyl)pyrazole
SMILESClc1ccc(-n2cccn2)cc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13/h1-6H
InChIKeyRAWYYAUKEAIOFW-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.18
Rot. Bonds1

About 1-(3,4-dichlorophenyl)pyrazole

1-(3,4-dichlorophenyl)pyrazole (PubChem CID 20572459) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pyrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pyrazole
PubChem CID20572459
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name1-(3,4-dichlorophenyl)pyrazole
SMILESClc1ccc(-n2cccn2)cc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13/h1-6H
InChIKeyRAWYYAUKEAIOFW-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pyrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)pyrazole (CID 20572459) is 1-(3,4-dichlorophenyl)pyrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pyrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)pyrazole is Clc1ccc(-n2cccn2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)pyrazole?
The InChIKey is RAWYYAUKEAIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13/h1-6H.
What are the key properties of 1-(3,4-dichlorophenyl)pyrazole?
1-(3,4-dichlorophenyl)pyrazole has a molecular weight of 213.07 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pyrazole is sourced from PubChem (CID 20572459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).