3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C18H15ClN2 — CID 15453870

IUPAC3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESClc1ccc(-c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C18H15ClN2/c19-14-11-9-13(10-12-14)18-16-7-4-8-17(16)21(20-18)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2
InChIKeyLAHNGPIIMDWGRL-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.68
Rot. Bonds2

About 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 15453870) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID15453870
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESClc1ccc(-c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C18H15ClN2/c19-14-11-9-13(10-12-14)18-16-7-4-8-17(16)21(20-18)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2
InChIKeyLAHNGPIIMDWGRL-UHFFFAOYSA-N
XLogP4.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 15453870) is 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is Clc1ccc(-c2nn(-c3ccccc3)c3c2CCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is LAHNGPIIMDWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-14-11-9-13(10-12-14)18-16-7-4-8-17(16)21(20-18)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2.
What are the key properties of 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 294.79 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 15453870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).