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

C9H12N2O2 — CID 21258055

IUPAC3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESO=C(O)CCc1n[nH]c2c1CCC2
InChIInChI=1S/C9H12N2O2/c12-9(13)5-4-8-6-2-1-3-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13)
InChIKeyIBHYLGIZBRKTLN-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.92
Rot. Bonds3

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

3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid (PubChem CID 21258055) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
PubChem CID21258055
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESO=C(O)CCc1n[nH]c2c1CCC2
InChIInChI=1S/C9H12N2O2/c12-9(13)5-4-8-6-2-1-3-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13)
InChIKeyIBHYLGIZBRKTLN-UHFFFAOYSA-N
XLogP0.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The IUPAC name of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid (CID 21258055) is 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid is O=C(O)CCc1n[nH]c2c1CCC2.
What is the InChIKey of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The InChIKey is IBHYLGIZBRKTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)5-4-8-6-2-1-3-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13).
What are the key properties of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 21258055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).