1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one

C22H23N3O2 — CID 72902667

IUPAC1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one
SMILESCC(C(=O)N1CCn2nc(Cc3ccccc3)cc2C1)c1ccc(O)cc1
InChIInChI=1S/C22H23N3O2/c1-16(18-7-9-21(26)10-8-18)22(27)24-11-12-25-20(15-24)14-19(23-25)13-17-5-3-2-4-6-17/h2-10,14,16,26H,11-13,15H2,1H3
InChIKeyGUEWRZDJFVQZTQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one

1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one (PubChem CID 72902667) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one
PubChem CID72902667
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one
SMILESCC(C(=O)N1CCn2nc(Cc3ccccc3)cc2C1)c1ccc(O)cc1
InChIInChI=1S/C22H23N3O2/c1-16(18-7-9-21(26)10-8-18)22(27)24-11-12-25-20(15-24)14-19(23-25)13-17-5-3-2-4-6-17/h2-10,14,16,26H,11-13,15H2,1H3
InChIKeyGUEWRZDJFVQZTQ-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one (CID 72902667) is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one is CC(C(=O)N1CCn2nc(Cc3ccccc3)cc2C1)c1ccc(O)cc1.
What is the InChIKey of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one?
The InChIKey is GUEWRZDJFVQZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(18-7-9-21(26)10-8-18)22(27)24-11-12-25-20(15-24)14-19(23-25)13-17-5-3-2-4-6-17/h2-10,14,16,26H,11-13,15H2,1H3.
What are the key properties of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one?
1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one has a molecular weight of 361.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 72902667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).