ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate

C11H13N5O3 — CID 107346852

IUPACethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2nccc(OC)n2)cc1N
InChIInChI=1S/C11H13N5O3/c1-3-19-10(17)9-7(12)6-16(15-9)11-13-5-4-8(14-11)18-2/h4-6H,3,12H2,1-2H3
InChIKeyZUFKFJMVCHYPCR-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.43
Rot. Bonds4

About ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate

ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate (PubChem CID 107346852) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate
PubChem CID107346852
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Nameethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2nccc(OC)n2)cc1N
InChIInChI=1S/C11H13N5O3/c1-3-19-10(17)9-7(12)6-16(15-9)11-13-5-4-8(14-11)18-2/h4-6H,3,12H2,1-2H3
InChIKeyZUFKFJMVCHYPCR-UHFFFAOYSA-N
XLogP0.43
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate (CID 107346852) is ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2nccc(OC)n2)cc1N.
What is the InChIKey of ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate?
The InChIKey is ZUFKFJMVCHYPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-3-19-10(17)9-7(12)6-16(15-9)11-13-5-4-8(14-11)18-2/h4-6H,3,12H2,1-2H3.
What are the key properties of ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate has a molecular weight of 263.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).