4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid

C10H11N5O3 — CID 107346079

IUPAC4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCOc1cc(-n2cc(N)c(C(=O)O)n2)nc(C)n1
InChIInChI=1S/C10H11N5O3/c1-5-12-7(3-8(13-5)18-2)15-4-6(11)9(14-15)10(16)17/h3-4H,11H2,1-2H3,(H,16,17)
InChIKeyKROWDTNZURDSJA-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.26
Rot. Bonds3

About 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid

4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 107346079) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid
PubChem CID107346079
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCOc1cc(-n2cc(N)c(C(=O)O)n2)nc(C)n1
InChIInChI=1S/C10H11N5O3/c1-5-12-7(3-8(13-5)18-2)15-4-6(11)9(14-15)10(16)17/h3-4H,11H2,1-2H3,(H,16,17)
InChIKeyKROWDTNZURDSJA-UHFFFAOYSA-N
XLogP0.26
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid (CID 107346079) is 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid is COc1cc(-n2cc(N)c(C(=O)O)n2)nc(C)n1.
What is the InChIKey of 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is KROWDTNZURDSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-5-12-7(3-8(13-5)18-2)15-4-6(11)9(14-15)10(16)17/h3-4H,11H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 107346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).