5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C16H21N5O2S — CID 118069228

IUPAC5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccsc3)c(C(N)=O)c2C1
InChIInChI=1S/C16H21N5O2S/c1-16(2,3)18-15(23)20-5-6-21-11(8-20)12(14(17)22)13(19-21)10-4-7-24-9-10/h4,7,9H,5-6,8H2,1-3H3,(H2,17,22)(H,18,23)
InChIKeyHMOXVUZAWYVTLU-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.03
Rot. Bonds2

About 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069228) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069228
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccsc3)c(C(N)=O)c2C1
InChIInChI=1S/C16H21N5O2S/c1-16(2,3)18-15(23)20-5-6-21-11(8-20)12(14(17)22)13(19-21)10-4-7-24-9-10/h4,7,9H,5-6,8H2,1-3H3,(H2,17,22)(H,18,23)
InChIKeyHMOXVUZAWYVTLU-UHFFFAOYSA-N
XLogP2.03
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069228) is 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)NC(=O)N1CCn2nc(-c3ccsc3)c(C(N)=O)c2C1.
What is the InChIKey of 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is HMOXVUZAWYVTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-16(2,3)18-15(23)20-5-6-21-11(8-20)12(14(17)22)13(19-21)10-4-7-24-9-10/h4,7,9H,5-6,8H2,1-3H3,(H2,17,22)(H,18,23).
What are the key properties of 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-thiophen-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).