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

C17H22N6O — CID 70747913

IUPAC3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole
SMILESCc1noc(C)c1CCCn1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)4-3-7-22-8-6-19-17(22)16-10-14-11-18-5-9-23(14)20-16/h6,8,10,18H,3-5,7,9,11H2,1-2H3
InChIKeyHFKCORLEFKDCPW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.09
Rot. Bonds5

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

3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole (PubChem CID 70747913) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole
PubChem CID70747913
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole
SMILESCc1noc(C)c1CCCn1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)4-3-7-22-8-6-19-17(22)16-10-14-11-18-5-9-23(14)20-16/h6,8,10,18H,3-5,7,9,11H2,1-2H3
InChIKeyHFKCORLEFKDCPW-UHFFFAOYSA-N
XLogP2.09
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole (CID 70747913) is 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole is Cc1noc(C)c1CCCn1ccnc1-c1cc2n(n1)CCNC2.
What is the InChIKey of 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole?
The InChIKey is HFKCORLEFKDCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)4-3-7-22-8-6-19-17(22)16-10-14-11-18-5-9-23(14)20-16/h6,8,10,18H,3-5,7,9,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole?
3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole has a molecular weight of 326.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 70747913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).