2-(1-cyclopentylpyrazol-3-yl)acetic acid

C10H14N2O2 — CID 50896677

IUPAC2-(1-cyclopentylpyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C10H14N2O2/c13-10(14)7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,13,14)
InChIKeyITFIWHOJXJIEBU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-cyclopentylpyrazol-3-yl)acetic acid

2-(1-cyclopentylpyrazol-3-yl)acetic acid (PubChem CID 50896677) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)acetic acid
PubChem CID50896677
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C10H14N2O2/c13-10(14)7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,13,14)
InChIKeyITFIWHOJXJIEBU-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)acetic acid (CID 50896677) is 2-(1-cyclopentylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)acetic acid is O=C(O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)acetic acid?
The InChIKey is ITFIWHOJXJIEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,13,14).
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)acetic acid?
2-(1-cyclopentylpyrazol-3-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 50896677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).