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

C21H17N3O2 — CID 135860259

IUPAC[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1N=C(c2ccc(O)cc2)CC1c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-18-10-8-15(9-11-18)19-13-20(16-5-2-1-3-6-16)24(23-19)21(26)17-7-4-12-22-14-17/h1-12,14,20,25H,13H2
InChIKeyFDGRSCVUTRCYLA-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.78
Rot. Bonds3

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

[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 135860259) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID135860259
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1N=C(c2ccc(O)cc2)CC1c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-18-10-8-15(9-11-18)19-13-20(16-5-2-1-3-6-16)24(23-19)21(26)17-7-4-12-22-14-17/h1-12,14,20,25H,13H2
InChIKeyFDGRSCVUTRCYLA-UHFFFAOYSA-N
XLogP3.78
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.78
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

Flavoteben
CID 135400468
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-3-carbohydrazide
CID 135604370
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
(E)-N'-(2,4-dihydroxybenzylidene)nicotinohydrazide
CID 135488764
[5-(4-Chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
CID 4826079
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705
Hydroxynaphthaldehyde nicotinoylhydrazone
CID 678892
(3-(1H-pyrazol-1-yl)phenyl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 24967131
[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-chloro-3-pyridinyl)methanone
CID 70694359
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-6-methylpyridine-3-carbohydrazide
CID 135578967
N-Nicotinoyl tyramine
CID 3043417
4-Hydroxybenzaldehyde nicotinoyl hydrazone
CID 135483803

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 135860259) is [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)CC1c1ccccc1.
What is the InChIKey of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is FDGRSCVUTRCYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-18-10-8-15(9-11-18)19-13-20(16-5-2-1-3-6-16)24(23-19)21(26)17-7-4-12-22-14-17/h1-12,14,20,25H,13H2.
What are the key properties of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone has a molecular weight of 343.39 g/mol, XLogP of 3.78, 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-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 135860259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).