3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

C16H20N6O — CID 70708546

IUPAC3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCCc1cc(Cn2ccnc2-c2cc3n(n2)CCNC3)on1
InChIInChI=1S/C16H20N6O/c1-2-3-12-8-14(23-20-12)11-21-6-5-18-16(21)15-9-13-10-17-4-7-22(13)19-15/h5-6,8-9,17H,2-4,7,10-11H2,1H3
InChIKeyTVONPRYIRIOIMD-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.84
Rot. Bonds5

About 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 70708546) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID70708546
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCCc1cc(Cn2ccnc2-c2cc3n(n2)CCNC3)on1
InChIInChI=1S/C16H20N6O/c1-2-3-12-8-14(23-20-12)11-21-6-5-18-16(21)15-9-13-10-17-4-7-22(13)19-15/h5-6,8-9,17H,2-4,7,10-11H2,1H3
InChIKeyTVONPRYIRIOIMD-UHFFFAOYSA-N
XLogP1.84
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 70708546) is 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is CCCc1cc(Cn2ccnc2-c2cc3n(n2)CCNC3)on1.
What is the InChIKey of 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is TVONPRYIRIOIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-2-3-12-8-14(23-20-12)11-21-6-5-18-16(21)15-9-13-10-17-4-7-22(13)19-15/h5-6,8-9,17H,2-4,7,10-11H2,1H3.
What are the key properties of 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 312.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 70708546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).