1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole

C10H16N2 — CID 86238304

IUPAC1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
SMILESCn1ncc2c1CCCCCC2
InChIInChI=1S/C10H16N2/c1-12-10-7-5-3-2-4-6-9(10)8-11-12/h8H,2-7H2,1H3
InChIKeyNYSOUZDSWHHHPC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.08
Rot. Bonds

About 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole

1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole (PubChem CID 86238304) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole.

Molecular Properties

Compound Name1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
PubChem CID86238304
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
SMILESCn1ncc2c1CCCCCC2
InChIInChI=1S/C10H16N2/c1-12-10-7-5-3-2-4-6-9(10)8-11-12/h8H,2-7H2,1H3
InChIKeyNYSOUZDSWHHHPC-UHFFFAOYSA-N
XLogP2.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[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 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole?
The IUPAC name of 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole (CID 86238304) is 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole.
What is the SMILES notation for 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole?
The canonical SMILES for 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole is Cn1ncc2c1CCCCCC2.
What is the InChIKey of 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole?
The InChIKey is NYSOUZDSWHHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-10-7-5-3-2-4-6-9(10)8-11-12/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole?
1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole is sourced from PubChem (CID 86238304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).