5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

C15H13ClN2 — CID 4738347

IUPAC5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2
InChIKeyRXULPLUJSOLALC-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.78
Rot. Bonds2

About 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 4738347) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID4738347
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2
InChIKeyRXULPLUJSOLALC-UHFFFAOYSA-N
XLogP3.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole (CID 4738347) is 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole is Clc1ccc(C2CC(c3ccccc3)=NN2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is RXULPLUJSOLALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2.
What are the key properties of 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 256.74 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 4738347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).