2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

C10H14N2O2 — CID 83858872

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H14N2O2/c1-2-6(10(13)14)9-7-4-3-5-8(7)11-12-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeySMDSFCLJXXLJMW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.48
Rot. Bonds3

About 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (PubChem CID 83858872) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
PubChem CID83858872
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H14N2O2/c1-2-6(10(13)14)9-7-4-3-5-8(7)11-12-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeySMDSFCLJXXLJMW-UHFFFAOYSA-N
XLogP1.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (CID 83858872) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is CCC(C(=O)O)c1n[nH]c2c1CCC2.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The InChIKey is SMDSFCLJXXLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-6(10(13)14)9-7-4-3-5-8(7)11-12-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83858872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).