4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

C10H14N2O2 — CID 82401217

IUPAC4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1n[nH]c2c1CCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)6-2-5-9-7-3-1-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)
InChIKeyQBYAHOQZOMPUTN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds4

About 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (PubChem CID 82401217) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
PubChem CID82401217
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1n[nH]c2c1CCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)6-2-5-9-7-3-1-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)
InChIKeyQBYAHOQZOMPUTN-UHFFFAOYSA-N
XLogP1.31
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The IUPAC name of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (CID 82401217) is 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The canonical SMILES for 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is O=C(O)CCCc1n[nH]c2c1CCC2.
What is the InChIKey of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The InChIKey is QBYAHOQZOMPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)6-2-5-9-7-3-1-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14).
What are the key properties of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is sourced from PubChem (CID 82401217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).