2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

C11H11FN4O2 — CID 104606534

IUPAC2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(-c2ncc(F)cn2)c(C)c1CC(=O)O
InChIInChI=1S/C11H11FN4O2/c1-6-9(3-10(17)18)7(2)16(15-6)11-13-4-8(12)5-14-11/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyTUFWSLIIXDEIEI-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.05
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 104606534) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID104606534
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(-c2ncc(F)cn2)c(C)c1CC(=O)O
InChIInChI=1S/C11H11FN4O2/c1-6-9(3-10(17)18)7(2)16(15-6)11-13-4-8(12)5-14-11/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyTUFWSLIIXDEIEI-UHFFFAOYSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-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-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 104606534) is 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1nn(-c2ncc(F)cn2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is TUFWSLIIXDEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-6-9(3-10(17)18)7(2)16(15-6)11-13-4-8(12)5-14-11/h4-5H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 250.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 104606534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).