8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline

C19H19N3 — CID 3758864

IUPAC8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline
SMILESC=C(C)C1Cc2c(C)nn(-c3cccc4cccnc34)c2C1
InChIInChI=1S/C19H19N3/c1-12(2)15-10-16-13(3)21-22(18(16)11-15)17-8-4-6-14-7-5-9-20-19(14)17/h4-9,15H,1,10-11H2,2-3H3
InChIKeyDAKGDESRUMIVGG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.02
Rot. Bonds2

About 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline

8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline (PubChem CID 3758864) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline.

Molecular Properties

Compound Name8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline
PubChem CID3758864
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline
SMILESC=C(C)C1Cc2c(C)nn(-c3cccc4cccnc34)c2C1
InChIInChI=1S/C19H19N3/c1-12(2)15-10-16-13(3)21-22(18(16)11-15)17-8-4-6-14-7-5-9-20-19(14)17/h4-9,15H,1,10-11H2,2-3H3
InChIKeyDAKGDESRUMIVGG-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline?
The IUPAC name of 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline (CID 3758864) is 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline.
What is the SMILES notation for 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline?
The canonical SMILES for 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline is C=C(C)C1Cc2c(C)nn(-c3cccc4cccnc34)c2C1.
What is the InChIKey of 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline?
The InChIKey is DAKGDESRUMIVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12(2)15-10-16-13(3)21-22(18(16)11-15)17-8-4-6-14-7-5-9-20-19(14)17/h4-9,15H,1,10-11H2,2-3H3.
What are the key properties of 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline?
8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline has a molecular weight of 289.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)quinoline is sourced from PubChem (CID 3758864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).