3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole

C7H12N2 — CID 129213561

IUPAC3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole
SMILESCC1=NNC2CCCC12
InChIInChI=1S/C7H12N2/c1-5-6-3-2-4-7(6)9-8-5/h6-7,9H,2-4H2,1H3
InChIKeyISIJASVZXSRXBA-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.13
Rot. Bonds

About 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole

3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole (PubChem CID 129213561) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole
PubChem CID129213561
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole
SMILESCC1=NNC2CCCC12
InChIInChI=1S/C7H12N2/c1-5-6-3-2-4-7(6)9-8-5/h6-7,9H,2-4H2,1H3
InChIKeyISIJASVZXSRXBA-UHFFFAOYSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole?
The IUPAC name of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole (CID 129213561) is 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole?
The canonical SMILES for 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole is CC1=NNC2CCCC12.
What is the InChIKey of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole?
The InChIKey is ISIJASVZXSRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6-3-2-4-7(6)9-8-5/h6-7,9H,2-4H2,1H3.
What are the key properties of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole?
3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 129213561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).