methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C17H19N3O4S — CID 50959376

IUPACmethyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(C3CCCO3)s1)C2
InChIInChI=1S/C17H19N3O4S/c1-23-17(22)12-9-11-10-19(6-7-20(11)18-12)16(21)15-5-4-14(25-15)13-3-2-8-24-13/h4-5,9,13H,2-3,6-8,10H2,1H3
InChIKeyPAZVOLFEUWCKEQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.24
Rot. Bonds3

About methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50959376) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50959376
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Namemethyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(C3CCCO3)s1)C2
InChIInChI=1S/C17H19N3O4S/c1-23-17(22)12-9-11-10-19(6-7-20(11)18-12)16(21)15-5-4-14(25-15)13-3-2-8-24-13/h4-5,9,13H,2-3,6-8,10H2,1H3
InChIKeyPAZVOLFEUWCKEQ-UHFFFAOYSA-N
XLogP2.24
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50959376) is methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(C3CCCO3)s1)C2.
What is the InChIKey of methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is PAZVOLFEUWCKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-23-17(22)12-9-11-10-19(6-7-20(11)18-12)16(21)15-5-4-14(25-15)13-3-2-8-24-13/h4-5,9,13H,2-3,6-8,10H2,1H3.
What are the key properties of methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50959376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).