3,4,5,6-tetrahydrocyclopenta[c]pyrazole

C6H8N2 — CID 23320733

IUPAC3,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESC1CC2=C(C1)N=NC2
InChIInChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h1-4H2
InChIKeyPKPBDWCFASJIFY-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.89
Rot. Bonds

About 3,4,5,6-tetrahydrocyclopenta[c]pyrazole

3,4,5,6-tetrahydrocyclopenta[c]pyrazole (PubChem CID 23320733) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3,4,5,6-tetrahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name3,4,5,6-tetrahydrocyclopenta[c]pyrazole
PubChem CID23320733
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESC1CC2=C(C1)N=NC2
InChIInChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h1-4H2
InChIKeyPKPBDWCFASJIFY-UHFFFAOYSA-N
XLogP1.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The IUPAC name of 3,4,5,6-tetrahydrocyclopenta[c]pyrazole (CID 23320733) is 3,4,5,6-tetrahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 3,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The canonical SMILES for 3,4,5,6-tetrahydrocyclopenta[c]pyrazole is C1CC2=C(C1)N=NC2.
What is the InChIKey of 3,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The InChIKey is PKPBDWCFASJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h1-4H2.
What are the key properties of 3,4,5,6-tetrahydrocyclopenta[c]pyrazole?
3,4,5,6-tetrahydrocyclopenta[c]pyrazole has a molecular weight of 108.14 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 23320733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).