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

C17H20N4O4S — CID 50953254

IUPACmethyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)C(C)(C)NC(=O)c1cccs1)C2
InChIInChI=1S/C17H20N4O4S/c1-17(2,18-14(22)13-5-4-8-26-13)16(24)20-6-7-21-11(10-20)9-12(19-21)15(23)25-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)
InChIKeyBOTDQUQPSNSKBV-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.28
Rot. Bonds4

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

methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50953254) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50953254
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Namemethyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)C(C)(C)NC(=O)c1cccs1)C2
InChIInChI=1S/C17H20N4O4S/c1-17(2,18-14(22)13-5-4-8-26-13)16(24)20-6-7-21-11(10-20)9-12(19-21)15(23)25-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)
InChIKeyBOTDQUQPSNSKBV-UHFFFAOYSA-N
XLogP1.28
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50953254) is methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)C(C)(C)NC(=O)c1cccs1)C2.
What is the InChIKey of methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is BOTDQUQPSNSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-17(2,18-14(22)13-5-4-8-26-13)16(24)20-6-7-21-11(10-20)9-12(19-21)15(23)25-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22).
What are the key properties of methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 376.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50953254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).