3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C20H20N2 — CID 3741560

IUPAC3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C20H20N2/c1-13(2)16-11-18-14(3)21-22(20(18)12-16)19-10-6-8-15-7-4-5-9-17(15)19/h4-10,16H,1,11-12H2,2-3H3
InChIKeyXNCRZJXBGHVVST-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.62
Rot. Bonds2

About 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 3741560) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID3741560
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C20H20N2/c1-13(2)16-11-18-14(3)21-22(20(18)12-16)19-10-6-8-15-7-4-5-9-17(15)19/h4-10,16H,1,11-12H2,2-3H3
InChIKeyXNCRZJXBGHVVST-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 3741560) is 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is C=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1.
What is the InChIKey of 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is XNCRZJXBGHVVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13(2)16-11-18-14(3)21-22(20(18)12-16)19-10-6-8-15-7-4-5-9-17(15)19/h4-10,16H,1,11-12H2,2-3H3.
What are the key properties of 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 288.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 3741560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).