1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one

C20H19N5O2 — CID 2147290

IUPAC1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one
SMILESCc1c(NCc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N5O2/c1-14-18(20(26)25(24(14)2)16-11-7-4-8-12-16)21-13-17-22-23-19(27-17)15-9-5-3-6-10-15/h3-12,21H,13H2,1-2H3
InChIKeyCVMMNMPXMRQVOZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.15
Rot. Bonds5

About 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one

1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one (PubChem CID 2147290) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one
PubChem CID2147290
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one
SMILESCc1c(NCc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N5O2/c1-14-18(20(26)25(24(14)2)16-11-7-4-8-12-16)21-13-17-22-23-19(27-17)15-9-5-3-6-10-15/h3-12,21H,13H2,1-2H3
InChIKeyCVMMNMPXMRQVOZ-UHFFFAOYSA-N
XLogP3.15
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one (CID 2147290) is 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one is Cc1c(NCc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
The InChIKey is CVMMNMPXMRQVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14-18(20(26)25(24(14)2)16-11-7-4-8-12-16)21-13-17-22-23-19(27-17)15-9-5-3-6-10-15/h3-12,21H,13H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one has a molecular weight of 361.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one is sourced from PubChem (CID 2147290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).