2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid

C11H15FN2O2 — CID 165489905

IUPAC2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid
SMILESCn1nc(C2CCCC2)cc1C(F)C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-14-9(10(12)11(15)16)6-8(13-14)7-4-2-3-5-7/h6-7,10H,2-5H2,1H3,(H,15,16)
InChIKeyDSDOLYYXIFTTSA-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.17
Rot. Bonds3

About 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid

2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid (PubChem CID 165489905) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid
PubChem CID165489905
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid
SMILESCn1nc(C2CCCC2)cc1C(F)C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-14-9(10(12)11(15)16)6-8(13-14)7-4-2-3-5-7/h6-7,10H,2-5H2,1H3,(H,15,16)
InChIKeyDSDOLYYXIFTTSA-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid (CID 165489905) is 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid is Cn1nc(C2CCCC2)cc1C(F)C(=O)O.
What is the InChIKey of 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid?
The InChIKey is DSDOLYYXIFTTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-14-9(10(12)11(15)16)6-8(13-14)7-4-2-3-5-7/h6-7,10H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid?
2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid has a molecular weight of 226.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-fluoroacetic acid is sourced from PubChem (CID 165489905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).