5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one

C15H13N3O — CID 21274513

IUPAC5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccn2)C(=O)C1c1ccccc1
InChIInChI=1S/C15H13N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-10,14H,1H3
InChIKeySJTGXJKEAHDTAV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.59
Rot. Bonds2

About 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one

5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one (PubChem CID 21274513) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
PubChem CID21274513
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccn2)C(=O)C1c1ccccc1
InChIInChI=1S/C15H13N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-10,14H,1H3
InChIKeySJTGXJKEAHDTAV-UHFFFAOYSA-N
XLogP2.59
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Difenpiramide
CID 100472
N-(pyridin-2-yl)benzamide
CID 219990
4-(propan-2-yl)-N-(pyridin-2-yl)benzamide
CID 898760
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CID 667652
3-Phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one
CID 14050877
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
2-Methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 3363325
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one (CID 21274513) is 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one is CC1=NN(c2ccccn2)C(=O)C1c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is SJTGXJKEAHDTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-10,14H,1H3.
What are the key properties of 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 251.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 21274513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).