1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid

C7H8N2O2 — CID 82417185

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
SMILESO=C(O)C1CCc2cn[nH]c21
InChIInChI=1S/C7H8N2O2/c10-7(11)5-2-1-4-3-8-9-6(4)5/h3,5H,1-2H2,(H,8,9)(H,10,11)
InChIKeyQTZJBKAPYIDOIQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.52
Rot. Bonds1

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid

1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid (PubChem CID 82417185) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
PubChem CID82417185
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
SMILESO=C(O)C1CCc2cn[nH]c21
InChIInChI=1S/C7H8N2O2/c10-7(11)5-2-1-4-3-8-9-6(4)5/h3,5H,1-2H2,(H,8,9)(H,10,11)
InChIKeyQTZJBKAPYIDOIQ-UHFFFAOYSA-N
XLogP0.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid (CID 82417185) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid is O=C(O)C1CCc2cn[nH]c21.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
The InChIKey is QTZJBKAPYIDOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)5-2-1-4-3-8-9-6(4)5/h3,5H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid?
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid is sourced from PubChem (CID 82417185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).