3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

C17H15N3O2 — CID 123668562

IUPAC3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCc2nc3c(CO)cnn3c(-c3ccccc3)c21
InChIInChI=1S/C17H15N3O2/c21-10-12-9-18-20-16(11-5-2-1-3-6-11)15-13(19-17(12)20)7-4-8-14(15)22/h1-3,5-6,9,21H,4,7-8,10H2
InChIKeyDGZJGGAQBRMOIU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.41
Rot. Bonds2

About 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 123668562) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID123668562
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCc2nc3c(CO)cnn3c(-c3ccccc3)c21
InChIInChI=1S/C17H15N3O2/c21-10-12-9-18-20-16(11-5-2-1-3-6-11)15-13(19-17(12)20)7-4-8-14(15)22/h1-3,5-6,9,21H,4,7-8,10H2
InChIKeyDGZJGGAQBRMOIU-UHFFFAOYSA-N
XLogP2.41
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 123668562) is 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CCCc2nc3c(CO)cnn3c(-c3ccccc3)c21.
What is the InChIKey of 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is DGZJGGAQBRMOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-10-12-9-18-20-16(11-5-2-1-3-6-11)15-13(19-17(12)20)7-4-8-14(15)22/h1-3,5-6,9,21H,4,7-8,10H2.
What are the key properties of 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 293.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 123668562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).