3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C12H17N5 — CID 114197754

IUPAC3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCC(C)n1nccc1-c1cnc2n1CCNC2
InChIInChI=1S/C12H17N5/c1-9(2)17-10(3-4-15-17)11-7-14-12-8-13-5-6-16(11)12/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyPKSIDYXUMFIDQE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 114197754) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID114197754
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCC(C)n1nccc1-c1cnc2n1CCNC2
InChIInChI=1S/C12H17N5/c1-9(2)17-10(3-4-15-17)11-7-14-12-8-13-5-6-16(11)12/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyPKSIDYXUMFIDQE-UHFFFAOYSA-N
XLogP1.43
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(3-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 114197754) is 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is CC(C)n1nccc1-c1cnc2n1CCNC2.
What is the InChIKey of 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is PKSIDYXUMFIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)17-10(3-4-15-17)11-7-14-12-8-13-5-6-16(11)12/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 231.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 114197754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).