ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate

C12H15N5O2 — CID 82192656

IUPACethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cnc(C)c(C)n2)c1N
InChIInChI=1S/C12H15N5O2/c1-4-19-12(18)9-5-15-17(11(9)13)10-6-14-7(2)8(3)16-10/h5-6H,4,13H2,1-3H3
InChIKeyIVLMOPGIGKRCFT-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.04
Rot. Bonds3

About ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate

ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate (PubChem CID 82192656) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
PubChem CID82192656
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Nameethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cnc(C)c(C)n2)c1N
InChIInChI=1S/C12H15N5O2/c1-4-19-12(18)9-5-15-17(11(9)13)10-6-14-7(2)8(3)16-10/h5-6H,4,13H2,1-3H3
InChIKeyIVLMOPGIGKRCFT-UHFFFAOYSA-N
XLogP1.04
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoate
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ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate (CID 82192656) is ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cnc(C)c(C)n2)c1N.
What is the InChIKey of ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate?
The InChIKey is IVLMOPGIGKRCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-4-19-12(18)9-5-15-17(11(9)13)10-6-14-7(2)8(3)16-10/h5-6H,4,13H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 82192656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).