methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate

C10H11N5O3 — CID 850298

IUPACmethyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(OC)ncn2)c1N
InChIInChI=1S/C10H11N5O3/c1-17-8-3-7(12-5-13-8)15-9(11)6(4-14-15)10(16)18-2/h3-5H,11H2,1-2H3
InChIKeyPSFPMJYNOUKKJD-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.04
Rot. Bonds3

About methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate

methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate (PubChem CID 850298) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate
PubChem CID850298
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Namemethyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(OC)ncn2)c1N
InChIInChI=1S/C10H11N5O3/c1-17-8-3-7(12-5-13-8)15-9(11)6(4-14-15)10(16)18-2/h3-5H,11H2,1-2H3
InChIKeyPSFPMJYNOUKKJD-UHFFFAOYSA-N
XLogP0.04
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate (CID 850298) is methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate is COC(=O)c1cnn(-c2cc(OC)ncn2)c1N.
What is the InChIKey of methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate?
The InChIKey is PSFPMJYNOUKKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-17-8-3-7(12-5-13-8)15-9(11)6(4-14-15)10(16)18-2/h3-5H,11H2,1-2H3.
What are the key properties of methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate?
methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate has a molecular weight of 249.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(6-methoxypyrimidin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 850298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).