7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole

C18H30N2 — CID 123212870

IUPAC7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
SMILESCC=C(C(C)C)C1CCCc2c(C(C)C)n[nH]c2CC1
InChIInChI=1S/C18H30N2/c1-6-15(12(2)3)14-8-7-9-16-17(11-10-14)19-20-18(16)13(4)5/h6,12-14H,7-11H2,1-5H3,(H,19,20)
InChIKeyBSLFSHCHCUCNEA-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.02
Rot. Bonds3

About 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole

7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole (PubChem CID 123212870) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole.

Molecular Properties

Compound Name7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
PubChem CID123212870
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
SMILESCC=C(C(C)C)C1CCCc2c(C(C)C)n[nH]c2CC1
InChIInChI=1S/C18H30N2/c1-6-15(12(2)3)14-8-7-9-16-17(11-10-14)19-20-18(16)13(4)5/h6,12-14H,7-11H2,1-5H3,(H,19,20)
InChIKeyBSLFSHCHCUCNEA-UHFFFAOYSA-N
XLogP5.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The IUPAC name of 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole (CID 123212870) is 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole.
What is the SMILES notation for 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The canonical SMILES for 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole is CC=C(C(C)C)C1CCCc2c(C(C)C)n[nH]c2CC1.
What is the InChIKey of 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The InChIKey is BSLFSHCHCUCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-15(12(2)3)14-8-7-9-16-17(11-10-14)19-20-18(16)13(4)5/h6,12-14H,7-11H2,1-5H3,(H,19,20).
What are the key properties of 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole has a molecular weight of 274.45 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole is sourced from PubChem (CID 123212870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).