2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid

C8H10F2N2O2 — CID 63975276

IUPAC2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid
SMILESCCCn1nccc1C(F)(F)C(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-2-5-12-6(3-4-11-12)8(9,10)7(13)14/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeyKONWMYPKISKJBY-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.47
Rot. Bonds4

About 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid

2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid (PubChem CID 63975276) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid
PubChem CID63975276
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid
SMILESCCCn1nccc1C(F)(F)C(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-2-5-12-6(3-4-11-12)8(9,10)7(13)14/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeyKONWMYPKISKJBY-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic 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 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid (CID 63975276) is 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid is CCCn1nccc1C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid?
The InChIKey is KONWMYPKISKJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-2-5-12-6(3-4-11-12)8(9,10)7(13)14/h3-4H,2,5H2,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid?
2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid has a molecular weight of 204.18 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 63975276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).