6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole

C11H20N2 — CID 170001216

IUPAC6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole
SMILESCC1CCC2=C(CCC1C)NNC2
InChIInChI=1S/C11H20N2/c1-8-3-5-10-7-12-13-11(10)6-4-9(8)2/h8-9,12-13H,3-7H2,1-2H3
InChIKeyCVMDVQCNOFQVDI-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.19
Rot. Bonds

About 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole

6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole (PubChem CID 170001216) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole.

Molecular Properties

Compound Name6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole
PubChem CID170001216
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole
SMILESCC1CCC2=C(CCC1C)NNC2
InChIInChI=1S/C11H20N2/c1-8-3-5-10-7-12-13-11(10)6-4-9(8)2/h8-9,12-13H,3-7H2,1-2H3
InChIKeyCVMDVQCNOFQVDI-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole?
The IUPAC name of 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole (CID 170001216) is 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole.
What is the SMILES notation for 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole?
The canonical SMILES for 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole is CC1CCC2=C(CCC1C)NNC2.
What is the InChIKey of 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole?
The InChIKey is CVMDVQCNOFQVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-3-5-10-7-12-13-11(10)6-4-9(8)2/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole?
6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole has a molecular weight of 180.29 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-cycloocta[c]pyrazole is sourced from PubChem (CID 170001216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).