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Summary Geometry Related PDB entries

J41

Summary

Name:	5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C19 H15 N3 O
Formal charge:	0
Formula weight:	301.342 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
OpenEye OEToolkits	2.0.6	5-methyl-2,3-diphenyl-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4cccc(c3c1n(C(C=C(N1)C)=O)nc3c2ccccc2)c4
InChI	InChI	1.03	InChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,20H,1H3
InChIKey	InChI	1.03	BMPPFRFXVLJIEW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=CC(=O)n2nc(c3ccccc3)c(c4ccccc4)c2N1
SMILES	CACTVS	3.385	CC1=CC(=O)n2nc(c3ccccc3)c(c4ccccc4)c2N1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1
SMILES	OpenEye OEToolkits	2.0.6	CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1

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