4-chloro-5-(2-chlorophenyl)-1H-pyrazole

C9H6Cl2N2 — CID 22916491

IUPAC4-chloro-5-(2-chlorophenyl)-1H-pyrazole
SMILESClc1ccccc1-c1[nH]ncc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyWCJFZHFULFWVBF-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.38
Rot. Bonds1

About 4-chloro-5-(2-chlorophenyl)-1H-pyrazole

4-chloro-5-(2-chlorophenyl)-1H-pyrazole (PubChem CID 22916491) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 4-chloro-5-(2-chlorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(2-chlorophenyl)-1H-pyrazole
PubChem CID22916491
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name4-chloro-5-(2-chlorophenyl)-1H-pyrazole
SMILESClc1ccccc1-c1[nH]ncc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyWCJFZHFULFWVBF-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chlorophenyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(2-chlorophenyl)-1H-pyrazole (CID 22916491) is 4-chloro-5-(2-chlorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(2-chlorophenyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(2-chlorophenyl)-1H-pyrazole is Clc1ccccc1-c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-(2-chlorophenyl)-1H-pyrazole?
The InChIKey is WCJFZHFULFWVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9/h1-5H,(H,12,13).
What are the key properties of 4-chloro-5-(2-chlorophenyl)-1H-pyrazole?
4-chloro-5-(2-chlorophenyl)-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 4-chloro-5-(2-chlorophenyl)-1H-pyrazole is sourced from PubChem (CID 22916491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).