ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate

C11H14N4O2 — CID 155346646

IUPACethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(NC)nc(C)cn2n1
InChIInChI=1S/C11H14N4O2/c1-4-17-11(16)8-5-9-10(12-3)13-7(2)6-15(9)14-8/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyZHJBMISRGYXHOR-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.26
Rot. Bonds3

About ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 155346646) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID155346646
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(NC)nc(C)cn2n1
InChIInChI=1S/C11H14N4O2/c1-4-17-11(16)8-5-9-10(12-3)13-7(2)6-15(9)14-8/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyZHJBMISRGYXHOR-UHFFFAOYSA-N
XLogP1.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 155346646) is ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2c(NC)nc(C)cn2n1.
What is the InChIKey of ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is ZHJBMISRGYXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-17-11(16)8-5-9-10(12-3)13-7(2)6-15(9)14-8/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 155346646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).