5-chloro-2-phenyl-3,4-dihydropyrazole

C9H9ClN2 — CID 787909

IUPAC5-chloro-2-phenyl-3,4-dihydropyrazole
SMILESClC1=NN(c2ccccc2)CC1
InChIInChI=1S/C9H9ClN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyZKNNWNWLWVAMCK-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.45
Rot. Bonds1

About 5-chloro-2-phenyl-3,4-dihydropyrazole

5-chloro-2-phenyl-3,4-dihydropyrazole (PubChem CID 787909) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 5-chloro-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-chloro-2-phenyl-3,4-dihydropyrazole
PubChem CID787909
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name5-chloro-2-phenyl-3,4-dihydropyrazole
SMILESClC1=NN(c2ccccc2)CC1
InChIInChI=1S/C9H9ClN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyZKNNWNWLWVAMCK-UHFFFAOYSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-chloro-2-phenyl-3,4-dihydropyrazole (CID 787909) is 5-chloro-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-chloro-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-chloro-2-phenyl-3,4-dihydropyrazole is ClC1=NN(c2ccccc2)CC1.
What is the InChIKey of 5-chloro-2-phenyl-3,4-dihydropyrazole?
The InChIKey is ZKNNWNWLWVAMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 5-chloro-2-phenyl-3,4-dihydropyrazole?
5-chloro-2-phenyl-3,4-dihydropyrazole has a molecular weight of 180.64 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 787909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).