5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole

C17H21N5O2S — CID 133143080

IUPAC5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2Cc3ccnn3C(COCc3csc(C)n3)C2)no1
InChIInChI=1S/C17H21N5O2S/c1-12-5-14(20-24-12)6-21-7-16-3-4-18-22(16)17(8-21)10-23-9-15-11-25-13(2)19-15/h3-5,11,17H,6-10H2,1-2H3
InChIKeyBBTZJMZJVJKBOG-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.72
Rot. Bonds6

About 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole

5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole (PubChem CID 133143080) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole
PubChem CID133143080
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2Cc3ccnn3C(COCc3csc(C)n3)C2)no1
InChIInChI=1S/C17H21N5O2S/c1-12-5-14(20-24-12)6-21-7-16-3-4-18-22(16)17(8-21)10-23-9-15-11-25-13(2)19-15/h3-5,11,17H,6-10H2,1-2H3
InChIKeyBBTZJMZJVJKBOG-UHFFFAOYSA-N
XLogP2.72
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole (CID 133143080) is 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole is Cc1cc(CN2Cc3ccnn3C(COCc3csc(C)n3)C2)no1.
What is the InChIKey of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole?
The InChIKey is BBTZJMZJVJKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-12-5-14(20-24-12)6-21-7-16-3-4-18-22(16)17(8-21)10-23-9-15-11-25-13(2)19-15/h3-5,11,17H,6-10H2,1-2H3.
What are the key properties of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole?
5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole has a molecular weight of 359.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 133143080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).