2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C12H13N3 — CID 72698953

IUPAC2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C12H13N3/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-15(11)14-12/h1-5,8,13H,6-7,9H2
InChIKeyNZEGJHAUPSTRJY-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.65
Rot. Bonds1

About 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 72698953) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID72698953
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C12H13N3/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-15(11)14-12/h1-5,8,13H,6-7,9H2
InChIKeyNZEGJHAUPSTRJY-UHFFFAOYSA-N
XLogP1.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 72698953) is 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1ccc(-c2cc3n(n2)CCNC3)cc1.
What is the InChIKey of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is NZEGJHAUPSTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-15(11)14-12/h1-5,8,13H,6-7,9H2.
What are the key properties of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 199.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 72698953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).