2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole

C6H10N2 — CID 154227512

IUPAC2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
SMILESC1CC2=NNCC2C1
InChIInChI=1S/C6H10N2/c1-2-5-4-7-8-6(5)3-1/h5,7H,1-4H2
InChIKeyUFDPXFFCJAENES-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.75
Rot. Bonds

About 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole

2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole (PubChem CID 154227512) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
PubChem CID154227512
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
SMILESC1CC2=NNCC2C1
InChIInChI=1S/C6H10N2/c1-2-5-4-7-8-6(5)3-1/h5,7H,1-4H2
InChIKeyUFDPXFFCJAENES-UHFFFAOYSA-N
XLogP0.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR)-3,3a,4,5,6,7-hexahydro-2H-cyclohepta[c]pyrazol-8-one
CID 94065375
4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine
CID 91343493
(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 15965715
1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone
CID 129198855
(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
CID 15965714
(3aS)-6-bromo-1,2,3,3a,4,5-hexahydropentalene
CID 95565171
6-bromo-1,2,3,3a,4,5-hexahydropentalene
CID 12863776
CID 163514613
CID 163514613
5-bromo-2-cyclopentyl-1H-imidazole
CID 58426987
4,4a,5,6,7,8-hexahydrocinnoline
CID 19978308
2,3a,4,5,6,7-hexahydroindazole-3-thione
CID 20788120
(3aS)-2,3a,4,5,6,7-hexahydroindazole-3-thione
CID 98157930

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
The IUPAC name of 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole (CID 154227512) is 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
The canonical SMILES for 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole is C1CC2=NNCC2C1.
What is the InChIKey of 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
The InChIKey is UFDPXFFCJAENES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-5-4-7-8-6(5)3-1/h5,7H,1-4H2.
What are the key properties of 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole has a molecular weight of 110.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 154227512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).