5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one

C16H17N3O2 — CID 104735255

IUPAC5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(C)cc(C(O)Cn2ccn3nccc3c2=O)c1
InChIInChI=1S/C16H17N3O2/c1-11-7-12(2)9-13(8-11)15(20)10-18-5-6-19-14(16(18)21)3-4-17-19/h3-9,15,20H,10H2,1-2H3
InChIKeyQWLQWNDPLBVXMY-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.85
Rot. Bonds3

About 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735255) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735255
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(C)cc(C(O)Cn2ccn3nccc3c2=O)c1
InChIInChI=1S/C16H17N3O2/c1-11-7-12(2)9-13(8-11)15(20)10-18-5-6-19-14(16(18)21)3-4-17-19/h3-9,15,20H,10H2,1-2H3
InChIKeyQWLQWNDPLBVXMY-UHFFFAOYSA-N
XLogP1.85
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735255) is 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1cc(C)cc(C(O)Cn2ccn3nccc3c2=O)c1.
What is the InChIKey of 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QWLQWNDPLBVXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-7-12(2)9-13(8-11)15(20)10-18-5-6-19-14(16(18)21)3-4-17-19/h3-9,15,20H,10H2,1-2H3.
What are the key properties of 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).