5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H11N7O2 — CID 90110726

IUPAC5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1coc(-c2c[nH]n3c(=O)cc(-c4ccc5n[nH]nc5c4)nc23)n1
InChIInChI=1S/C16H11N7O2/c1-8-7-25-16(18-8)10-6-17-23-14(24)5-12(19-15(10)23)9-2-3-11-13(4-9)21-22-20-11/h2-7,17H,1H3,(H,20,21,22)
InChIKeyCYOHTTYDGZSGBM-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.92
Rot. Bonds2

About 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90110726) has the molecular formula C16H11N7O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90110726
Molecular FormulaC16H11N7O2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1coc(-c2c[nH]n3c(=O)cc(-c4ccc5n[nH]nc5c4)nc23)n1
InChIInChI=1S/C16H11N7O2/c1-8-7-25-16(18-8)10-6-17-23-14(24)5-12(19-15(10)23)9-2-3-11-13(4-9)21-22-20-11/h2-7,17H,1H3,(H,20,21,22)
InChIKeyCYOHTTYDGZSGBM-UHFFFAOYSA-N
XLogP1.92
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90110726) is 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1coc(-c2c[nH]n3c(=O)cc(-c4ccc5n[nH]nc5c4)nc23)n1.
What is the InChIKey of 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CYOHTTYDGZSGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7O2/c1-8-7-25-16(18-8)10-6-17-23-14(24)5-12(19-15(10)23)9-2-3-11-13(4-9)21-22-20-11/h2-7,17H,1H3,(H,20,21,22).
What are the key properties of 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 333.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-benzotriazol-5-yl)-3-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90110726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).