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

C19H18N6O2 — CID 56951308

IUPAC1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one
SMILESCc1c(NCc2nnc(-c3ccncc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18N6O2/c1-13-17(19(26)25(24(13)2)15-6-4-3-5-7-15)21-12-16-22-23-18(27-16)14-8-10-20-11-9-14/h3-11,21H,12H2,1-2H3
InChIKeyKNZPGIPEUVWWBW-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.54
Rot. Bonds5

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

1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one (PubChem CID 56951308) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one
PubChem CID56951308
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one
SMILESCc1c(NCc2nnc(-c3ccncc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18N6O2/c1-13-17(19(26)25(24(13)2)15-6-4-3-5-7-15)21-12-16-22-23-18(27-16)14-8-10-20-11-9-14/h3-11,21H,12H2,1-2H3
InChIKeyKNZPGIPEUVWWBW-UHFFFAOYSA-N
XLogP2.54
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one (CID 56951308) is 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one is Cc1c(NCc2nnc(-c3ccncc3)o2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
The InChIKey is KNZPGIPEUVWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13-17(19(26)25(24(13)2)15-6-4-3-5-7-15)21-12-16-22-23-18(27-16)14-8-10-20-11-9-14/h3-11,21H,12H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one?
1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one has a molecular weight of 362.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one is sourced from PubChem (CID 56951308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).