4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid

C9H7FN4O2 — CID 170337408

IUPAC4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ncccn2)c(F)c1C(=O)O
InChIInChI=1S/C9H7FN4O2/c1-14-7(9(15)16)5(10)6(13-14)8-11-3-2-4-12-8/h2-4H,1H3,(H,15,16)
InChIKeyIXXLPCSZKAGOEU-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.71
Rot. Bonds2

About 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid

4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid (PubChem CID 170337408) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid
PubChem CID170337408
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ncccn2)c(F)c1C(=O)O
InChIInChI=1S/C9H7FN4O2/c1-14-7(9(15)16)5(10)6(13-14)8-11-3-2-4-12-8/h2-4H,1H3,(H,15,16)
InChIKeyIXXLPCSZKAGOEU-UHFFFAOYSA-N
XLogP0.71
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic 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 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid (CID 170337408) is 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid is Cn1nc(-c2ncccn2)c(F)c1C(=O)O.
What is the InChIKey of 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid?
The InChIKey is IXXLPCSZKAGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c1-14-7(9(15)16)5(10)6(13-14)8-11-3-2-4-12-8/h2-4H,1H3,(H,15,16).
What are the key properties of 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid?
4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 170337408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).