2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone

C19H19N3O2 — CID 54586933

IUPAC2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CC1CC1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C19H19N3O2/c23-18-6-2-1-5-15(18)17-11-16(14-4-3-9-20-12-14)21-22(17)19(24)10-13-7-8-13/h1-6,9,12-13,17,23H,7-8,10-11H2
InChIKeyJBBKLEDLQXROBJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.27
Rot. Bonds4

About 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone

2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 54586933) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID54586933
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CC1CC1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C19H19N3O2/c23-18-6-2-1-5-15(18)17-11-16(14-4-3-9-20-12-14)21-22(17)19(24)10-13-7-8-13/h1-6,9,12-13,17,23H,7-8,10-11H2
InChIKeyJBBKLEDLQXROBJ-UHFFFAOYSA-N
XLogP3.27
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Salinazid
CID 135400471
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone
CID 2877858
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
3-methyl-1-(3-phenylpropanoyl)-5-(4-pyridinyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2894737
[5-(4-Chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
CID 4826079
2-(4-hydroxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 25237312
2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxo-N-(2-pyridinylmethyl)acetamide
CID 135411993
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705
1-[5-(2-hydroxyphenyl)-3-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 3159801
[4-Fluoro-3-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54580078
[3-Fluoro-4-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54581065

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 54586933) is 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone is O=C(CC1CC1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is JBBKLEDLQXROBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-6-2-1-5-15(18)17-11-16(14-4-3-9-20-12-14)21-22(17)19(24)10-13-7-8-13/h1-6,9,12-13,17,23H,7-8,10-11H2.
What are the key properties of 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 54586933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).