2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C10H11N3S — CID 121215340

IUPAC2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1cc(-c2cc3n(n2)CCNC3)cs1
InChIInChI=1S/C10H11N3S/c1-4-14-7-8(1)10-5-9-6-11-2-3-13(9)12-10/h1,4-5,7,11H,2-3,6H2
InChIKeyPLJAEWKBBRUOEH-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.71
Rot. Bonds1

About 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 121215340) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID121215340
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1cc(-c2cc3n(n2)CCNC3)cs1
InChIInChI=1S/C10H11N3S/c1-4-14-7-8(1)10-5-9-6-11-2-3-13(9)12-10/h1,4-5,7,11H,2-3,6H2
InChIKeyPLJAEWKBBRUOEH-UHFFFAOYSA-N
XLogP1.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 121215340) is 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1cc(-c2cc3n(n2)CCNC3)cs1.
What is the InChIKey of 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is PLJAEWKBBRUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-4-14-7-8(1)10-5-9-6-11-2-3-13(9)12-10/h1,4-5,7,11H,2-3,6H2.
What are the key properties of 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 205.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121215340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).