3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

C15H17ClN2O — CID 66023280

IUPAC3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESClc1c2c(nn1CCCOc1ccccc1)CCC2
InChIInChI=1S/C15H17ClN2O/c16-15-13-8-4-9-14(13)17-18(15)10-5-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyZGELJEKRTNTDDI-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.49
Rot. Bonds5

About 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 66023280) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID66023280
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESClc1c2c(nn1CCCOc1ccccc1)CCC2
InChIInChI=1S/C15H17ClN2O/c16-15-13-8-4-9-14(13)17-18(15)10-5-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyZGELJEKRTNTDDI-UHFFFAOYSA-N
XLogP3.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 66023280) is 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is Clc1c2c(nn1CCCOc1ccccc1)CCC2.
What is the InChIKey of 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is ZGELJEKRTNTDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-15-13-8-4-9-14(13)17-18(15)10-5-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 276.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-phenoxypropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 66023280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).