6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one

C15H14N4O — CID 535047

IUPAC6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCn1c(C)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C15H14N4O/c1-3-9-18-11(2)17-14-13(15(18)20)10-16-19(14)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKeySKSQMRDZDJCOEV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.08
Rot. Bonds3

About 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one

6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 535047) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID535047
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCn1c(C)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C15H14N4O/c1-3-9-18-11(2)17-14-13(15(18)20)10-16-19(14)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKeySKSQMRDZDJCOEV-UHFFFAOYSA-N
XLogP2.08
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bay 73-6691
CID 135541419
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 2578228
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
BAY 73-6691 racemate
CID 135495130
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135566505
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one (CID 535047) is 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one is C=CCn1c(C)nc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SKSQMRDZDJCOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-3-9-18-11(2)17-14-13(15(18)20)10-16-19(14)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3.
What are the key properties of 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 535047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).