2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one

C14H13N3O — CID 879154

IUPAC2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=CC=C3
InChIInChI=1S/C14H13N3O/c1-9-8-12(18)17-14(15-9)13(10(2)16-17)11-6-4-3-5-7-11/h3-8,16H,1-2H3
InChIKeyTWAKYLAMMFJNIN-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.00
Rot. Bonds1

About 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one

2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (PubChem CID 879154) has the molecular formula C14H13N3O and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
PubChem CID879154
Molecular FormulaC14H13N3O
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC Name2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=CC=C3
InChIInChI=1S/C14H13N3O/c1-9-8-12(18)17-14(15-9)13(10(2)16-17)11-6-4-3-5-7-11/h3-8,16H,1-2H3
InChIKeyTWAKYLAMMFJNIN-UHFFFAOYSA-N
XLogP2.00
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity481

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-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

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753151
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 2810970
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
5-(methoxymethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 737233
5-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 685204
6-Allyl-5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793400

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The IUPAC name of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one (CID 879154) is 2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The canonical SMILES for 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=CC=C3.
What is the InChIKey of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
The InChIKey is TWAKYLAMMFJNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-8-12(18)17-14(15-9)13(10(2)16-17)11-6-4-3-5-7-11/h3-8,16H,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one?
2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one has a molecular weight of 239.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one is sourced from PubChem (CID 879154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).