2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C23H23N3O3 — CID 95104750

IUPAC2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1[C@@H](O)Cn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O
InChIInChI=1S/C23H23N3O3/c1-15-8-9-17(12-16(15)2)19-13-20-23(28)25(10-11-26(20)24-19)14-21(27)18-6-4-5-7-22(18)29-3/h4-13,21,27H,14H2,1-3H3/t21-/m0/s1
InChIKeyHWOXVHARCCXBOL-NRFANRHFSA-N
MW389.46 g/mol
LogP3.52
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 95104750) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID95104750
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1[C@@H](O)Cn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O
InChIInChI=1S/C23H23N3O3/c1-15-8-9-17(12-16(15)2)19-13-20-23(28)25(10-11-26(20)24-19)14-21(27)18-6-4-5-7-22(18)29-3/h4-13,21,27H,14H2,1-3H3/t21-/m0/s1
InChIKeyHWOXVHARCCXBOL-NRFANRHFSA-N
XLogP3.52
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 95104750) is 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1[C@@H](O)Cn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HWOXVHARCCXBOL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-8-9-17(12-16(15)2)19-13-20-23(28)25(10-11-26(20)24-19)14-21(27)18-6-4-5-7-22(18)29-3/h4-13,21,27H,14H2,1-3H3/t21-/m0/s1.
What are the key properties of 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 389.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 95104750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).