4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole

C9H14N2 — CID 59180887

IUPAC4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole
SMILESC1CCCC2=C(CC1)CN=N2
InChIInChI=1S/C9H14N2/c1-2-4-6-9-8(5-3-1)7-10-11-9/h1-7H2
InChIKeyVLSZFJNGQWKGBE-UHFFFAOYSA-N
MW150.22 g/mol
LogP3.06
Rot. Bonds

About 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole

4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole (PubChem CID 59180887) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole
PubChem CID59180887
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole
SMILESC1CCCC2=C(CC1)CN=N2
InChIInChI=1S/C9H14N2/c1-2-4-6-9-8(5-3-1)7-10-11-9/h1-7H2
InChIKeyVLSZFJNGQWKGBE-UHFFFAOYSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole?
The IUPAC name of 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole (CID 59180887) is 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole.
What is the SMILES notation for 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole?
The canonical SMILES for 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole is C1CCCC2=C(CC1)CN=N2.
What is the InChIKey of 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole?
The InChIKey is VLSZFJNGQWKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-4-6-9-8(5-3-1)7-10-11-9/h1-7H2.
What are the key properties of 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole?
4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole has a molecular weight of 150.22 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole is sourced from PubChem (CID 59180887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).