2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole

C22H23N3 — CID 11502629

IUPAC2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole
SMILESc1ccc(-n2ncc3c2CCC3CCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C22H23N3/c1-2-8-20(9-3-1)25-22-11-10-17(21(22)14-23-25)12-13-24-15-18-6-4-5-7-19(18)16-24/h1-9,14,17H,10-13,15-16H2
InChIKeyUUPVSZHHIAHCQM-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.31
Rot. Bonds4

About 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole

2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole (PubChem CID 11502629) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole
PubChem CID11502629
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole
SMILESc1ccc(-n2ncc3c2CCC3CCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C22H23N3/c1-2-8-20(9-3-1)25-22-11-10-17(21(22)14-23-25)12-13-24-15-18-6-4-5-7-19(18)16-24/h1-9,14,17H,10-13,15-16H2
InChIKeyUUPVSZHHIAHCQM-UHFFFAOYSA-N
XLogP4.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole (CID 11502629) is 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole is c1ccc(-n2ncc3c2CCC3CCN2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole?
The InChIKey is UUPVSZHHIAHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-2-8-20(9-3-1)25-22-11-10-17(21(22)14-23-25)12-13-24-15-18-6-4-5-7-19(18)16-24/h1-9,14,17H,10-13,15-16H2.
What are the key properties of 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole?
2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole has a molecular weight of 329.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole is sourced from PubChem (CID 11502629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).