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

C20H17N3O — CID 70982569

IUPAC4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(-c2ccccc2)c(C)c(-n2ccc(=O)n3nccc23)c1
InChIInChI=1S/C20H17N3O/c1-14-12-17(16-6-4-3-5-7-16)15(2)18(13-14)22-11-9-20(24)23-19(22)8-10-21-23/h3-13H,1-2H3
InChIKeyWMLCKOBVVSXSLT-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.77
Rot. Bonds2

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

4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70982569) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70982569
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(-c2ccccc2)c(C)c(-n2ccc(=O)n3nccc23)c1
InChIInChI=1S/C20H17N3O/c1-14-12-17(16-6-4-3-5-7-16)15(2)18(13-14)22-11-9-20(24)23-19(22)8-10-21-23/h3-13H,1-2H3
InChIKeyWMLCKOBVVSXSLT-UHFFFAOYSA-N
XLogP3.77
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
chloro-tris(2,5-dimethyl-3-phenylphenyl)silane
CID 88962543
2-[(2Z)-2-[6-tert-butyl-3-[4-methyl-2,6-bis(4-phenylphenyl)phenyl]-1,3-benzoxazol-2-ylidene]ethylidene]indene-1,3-dione
CID 176592194
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814
5-methyl-4,6-diphenyl-1H-pyridin-2-one
CID 14120548
(2,5-dimethyl-3-phenylphenyl)methanol
CID 145013293
(4-methyl-2,6-diphenylphenyl)stibane
CID 173432730
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
1,6-dimethyl-4,5-diphenylpyridin-2-one
CID 165356437
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 70982569) is 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(-c2ccccc2)c(C)c(-n2ccc(=O)n3nccc23)c1.
What is the InChIKey of 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WMLCKOBVVSXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-12-17(16-6-4-3-5-7-16)15(2)18(13-14)22-11-9-20(24)23-19(22)8-10-21-23/h3-13H,1-2H3.
What are the key properties of 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 315.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70982569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).