2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one

C16H15N3O — CID 54513115

IUPAC2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(-c3cccnc3)cc2=O)cc1C
InChIInChI=1S/C16H15N3O/c1-11-5-6-14(8-12(11)2)19-16(20)9-15(18-19)13-4-3-7-17-10-13/h3-10,18H,1-2H3
InChIKeyYKNOZRPSNWWJNK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.84
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one

2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 54513115) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID54513115
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(-c3cccnc3)cc2=O)cc1C
InChIInChI=1S/C16H15N3O/c1-11-5-6-14(8-12(11)2)19-16(20)9-15(18-19)13-4-3-7-17-10-13/h3-10,18H,1-2H3
InChIKeyYKNOZRPSNWWJNK-UHFFFAOYSA-N
XLogP2.84
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one (CID 54513115) is 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one is Cc1ccc(-n2[nH]c(-c3cccnc3)cc2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is YKNOZRPSNWWJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-5-6-14(8-12(11)2)19-16(20)9-15(18-19)13-4-3-7-17-10-13/h3-10,18H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 265.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 54513115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).