methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate

C8H11N3O2 — CID 131423907

IUPACmethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2c1CNCC2
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-4-10-11-3-2-9-5-7(6)11/h4,9H,2-3,5H2,1H3
InChIKeyWMGYLLOUHGJALO-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.23
Rot. Bonds1

About methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate

methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 131423907) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID131423907
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2c1CNCC2
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-4-10-11-3-2-9-5-7(6)11/h4,9H,2-3,5H2,1H3
InChIKeyWMGYLLOUHGJALO-UHFFFAOYSA-N
XLogP-0.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate (CID 131423907) is methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate is COC(=O)c1cnn2c1CNCC2.
What is the InChIKey of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is WMGYLLOUHGJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)6-4-10-11-3-2-9-5-7(6)11/h4,9H,2-3,5H2,1H3.
What are the key properties of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate?
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 131423907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).