[5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

C22H19N3O2 — CID 135860260

IUPAC[5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCc1ccccc1C1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1
InChIInChI=1S/C22H19N3O2/c1-15-5-2-3-7-19(15)21-13-20(16-8-10-18(26)11-9-16)24-25(21)22(27)17-6-4-12-23-14-17/h2-12,14,21,26H,13H2,1H3
InChIKeyCAPQWYLERAGWRX-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.09
Rot. Bonds3

About [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

[5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 135860260) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID135860260
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name[5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCc1ccccc1C1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1
InChIInChI=1S/C22H19N3O2/c1-15-5-2-3-7-19(15)21-13-20(16-8-10-18(26)11-9-16)24-25(21)22(27)17-6-4-12-23-14-17/h2-12,14,21,26H,13H2,1H3
InChIKeyCAPQWYLERAGWRX-UHFFFAOYSA-N
XLogP4.09
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-3-carbohydrazide
CID 135604370
[5-(4-Chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
CID 4826079
Hydroxynaphthaldehyde nicotinoylhydrazone
CID 678892
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-6-methylpyridine-3-carbohydrazide
CID 135578967
N-Nicotinoyl tyramine
CID 3043417
4-Hydroxybenzaldehyde nicotinoyl hydrazone
CID 135483803
1-[5-(2-hydroxyphenyl)-3-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 3159801
[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](pyridin-3-yl)methanone
CID 4550586
N-[1-[8-(3-Amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-nicotinamide
CID 44368886
5-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N-methylpyridine-3-carboxamide
CID 44418538
5-[2-(4-Hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide
CID 44418540
N-(2-hydroxy-5-phenylphenyl)pyridine-3-carboxamide
CID 44454622

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 135860260) is [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is Cc1ccccc1C1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1.
What is the InChIKey of [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is CAPQWYLERAGWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-5-2-3-7-19(15)21-13-20(16-8-10-18(26)11-9-16)24-25(21)22(27)17-6-4-12-23-14-17/h2-12,14,21,26H,13H2,1H3.
What are the key properties of [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone has a molecular weight of 357.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 135860260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).