2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid

C8H10BrFN2O2 — CID 115049276

IUPAC2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid
SMILESCC(C)n1ncc(Br)c1C(F)C(=O)O
InChIInChI=1S/C8H10BrFN2O2/c1-4(2)12-7(5(9)3-11-12)6(10)8(13)14/h3-4,6H,1-2H3,(H,13,14)
InChIKeyYZTISDIRSBDFFG-UHFFFAOYSA-N
MW265.08 g/mol
LogP2.32
Rot. Bonds3

About 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid (PubChem CID 115049276) has the molecular formula C8H10BrFN2O2 and a molecular weight of 265.08 g/mol. Its IUPAC name is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid
PubChem CID115049276
Molecular FormulaC8H10BrFN2O2
Molecular Weight265.08 g/mol
Exact Mass263.99
IUPAC Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid
SMILESCC(C)n1ncc(Br)c1C(F)C(=O)O
InChIInChI=1S/C8H10BrFN2O2/c1-4(2)12-7(5(9)3-11-12)6(10)8(13)14/h3-4,6H,1-2H3,(H,13,14)
InChIKeyYZTISDIRSBDFFG-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-1-propan-2-ylpyrazol-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

Related Compounds

3-(4-Bromo-1-methyl-1H-pyrazol-5-YL)propanoic acid
CID 19622634
2-(1-Isopropyl-1H-pyrazol-5-yl)acetic acid
CID 50896683
2-(1-methyl-1H-pyrazol-5-yl)acetic acid
CID 50896807
2-(4-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 60136501
2-(1-ethyl-1H-pyrazol-3-yl)acetic acid
CID 25248194
2-(1-cyclopentyl-1H-pyrazol-3-yl)acetic acid
CID 50896677
2-(4-bromo-1-methyl-1H-pyrazol-3-yl)acetic acid
CID 60136497
2-(4-bromo-1-(propan-2-yl)-1H-pyrazol-5-yl)acetic acid
CID 60136564
2-(1-cyclopentyl-1H-pyrazol-5-yl)acetic acid
CID 60136567
2-fluoro-2-(1-methyl-1H-pyrazol-5-yl)acetic acid
CID 79366346
2-[4-Bromo-1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 83390688
2-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 114662420

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid (CID 115049276) is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid is CC(C)n1ncc(Br)c1C(F)C(=O)O.
What is the InChIKey of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid?
The InChIKey is YZTISDIRSBDFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2/c1-4(2)12-7(5(9)3-11-12)6(10)8(13)14/h3-4,6H,1-2H3,(H,13,14).
What are the key properties of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid?
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid has a molecular weight of 265.08 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid is sourced from PubChem (CID 115049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).