1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C18H16N2 — CID 15453869

IUPAC1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C18H16N2/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)20(19-18)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyBOSZYMVYZMPZSQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.03
Rot. Bonds2

About 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 15453869) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID15453869
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C18H16N2/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)20(19-18)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyBOSZYMVYZMPZSQ-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
1,3-Diphenyl-1H-pyrazole-5-carbonitrile
CID 542822
3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 3741560
1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 11507630
1,3-Diphenyl-4,5,6,7-tetrahydro-1H-indazole
CID 15453871
1,3-Diphenyl-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
CID 15453872

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 15453869) is 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is c1ccc(-c2nn(-c3ccccc3)c3c2CCC3)cc1.
What is the InChIKey of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is BOSZYMVYZMPZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)20(19-18)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 260.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 15453869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).