3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid

C9H8N4O3 — CID 70873436

IUPAC3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1nccc(-c2cc(C(=O)O)[nH]n2)n1
InChIInChI=1S/C9H8N4O3/c1-16-9-10-3-2-5(11-9)6-4-7(8(14)15)13-12-6/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyPSFFOMJHBVAQBD-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.57
Rot. Bonds3

About 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid

3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 70873436) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID70873436
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1nccc(-c2cc(C(=O)O)[nH]n2)n1
InChIInChI=1S/C9H8N4O3/c1-16-9-10-3-2-5(11-9)6-4-7(8(14)15)13-12-6/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyPSFFOMJHBVAQBD-UHFFFAOYSA-N
XLogP0.57
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-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 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid (CID 70873436) is 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid is COc1nccc(-c2cc(C(=O)O)[nH]n2)n1.
What is the InChIKey of 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is PSFFOMJHBVAQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-16-9-10-3-2-5(11-9)6-4-7(8(14)15)13-12-6/h2-4H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 70873436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).