2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid

C9H7FN4O2 — CID 134397423

IUPAC2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ccnc(F)n2)n1
InChIInChI=1S/C9H7FN4O2/c1-5-4-6(8(15)16)14(13-5)7-2-3-11-9(10)12-7/h2-4H,1H3,(H,15,16)
InChIKeyLULDTLVCQBXXRF-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.81
Rot. Bonds2

About 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid

2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 134397423) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
PubChem CID134397423
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ccnc(F)n2)n1
InChIInChI=1S/C9H7FN4O2/c1-5-4-6(8(15)16)14(13-5)7-2-3-11-9(10)12-7/h2-4H,1H3,(H,15,16)
InChIKeyLULDTLVCQBXXRF-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-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 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid (CID 134397423) is 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2ccnc(F)n2)n1.
What is the InChIKey of 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is LULDTLVCQBXXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c1-5-4-6(8(15)16)14(13-5)7-2-3-11-9(10)12-7/h2-4H,1H3,(H,15,16).
What are the key properties of 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 134397423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).