1,2,3,4-tetrahydrocyclopenta[c]pyrazole

C6H8N2 — CID 141208213

IUPAC1,2,3,4-tetrahydrocyclopenta[c]pyrazole
SMILESC1=CC2=C(C1)CNN2
InChIInChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h1,3,7-8H,2,4H2
InChIKeyDQKAFLZOYDRCEV-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.31
Rot. Bonds

About 1,2,3,4-tetrahydrocyclopenta[c]pyrazole

1,2,3,4-tetrahydrocyclopenta[c]pyrazole (PubChem CID 141208213) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name1,2,3,4-tetrahydrocyclopenta[c]pyrazole
PubChem CID141208213
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1,2,3,4-tetrahydrocyclopenta[c]pyrazole
SMILESC1=CC2=C(C1)CNN2
InChIInChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h1,3,7-8H,2,4H2
InChIKeyDQKAFLZOYDRCEV-UHFFFAOYSA-N
XLogP0.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrocyclopenta[c]pyrazole?
The IUPAC name of 1,2,3,4-tetrahydrocyclopenta[c]pyrazole (CID 141208213) is 1,2,3,4-tetrahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 1,2,3,4-tetrahydrocyclopenta[c]pyrazole?
The canonical SMILES for 1,2,3,4-tetrahydrocyclopenta[c]pyrazole is C1=CC2=C(C1)CNN2.
What is the InChIKey of 1,2,3,4-tetrahydrocyclopenta[c]pyrazole?
The InChIKey is DQKAFLZOYDRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h1,3,7-8H,2,4H2.
What are the key properties of 1,2,3,4-tetrahydrocyclopenta[c]pyrazole?
1,2,3,4-tetrahydrocyclopenta[c]pyrazole has a molecular weight of 108.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 141208213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).