5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole

C9H8Cl2N2 — CID 84680740

IUPAC5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole
SMILESClC1=NN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H8Cl2N2/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2
InChIKeyAABXGTVSCZDZLX-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.10
Rot. Bonds1

About 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole

5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole (PubChem CID 84680740) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole
PubChem CID84680740
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole
SMILESClC1=NN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H8Cl2N2/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2
InChIKeyAABXGTVSCZDZLX-UHFFFAOYSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole (CID 84680740) is 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole is ClC1=NN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole?
The InChIKey is AABXGTVSCZDZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2.
What are the key properties of 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole?
5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole has a molecular weight of 215.08 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 84680740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).