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

C22H19N3O2 — CID 135860261

IUPAC[5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(C2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1
InChIInChI=1S/C22H19N3O2/c1-15-4-6-17(7-5-15)21-13-20(16-8-10-19(26)11-9-16)24-25(21)22(27)18-3-2-12-23-14-18/h2-12,14,21,26H,13H2,1H3
InChIKeyMYQXWTBGIGVUTM-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.09
Rot. Bonds3

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

[5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 135860261) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID135860261
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name[5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(C2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1
InChIInChI=1S/C22H19N3O2/c1-15-4-6-17(7-5-15)21-13-20(16-8-10-19(26)11-9-16)24-25(21)22(27)18-3-2-12-23-14-18/h2-12,14,21,26H,13H2,1H3
InChIKeyMYQXWTBGIGVUTM-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

CID 135604370
CID 135604370
CID 135408522
CID 135408522
CID 4826079
CID 4826079
CID 235705
CID 235705
CID 678892
CID 678892
CID 10302679
CID 10302679
CID 14570085
CID 14570085
CID 70694359
CID 70694359
CID 135578967
CID 135578967
CID 3043417
CID 3043417
CID 135483803
CID 135483803
CID 3159801
CID 3159801

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 135860261) is [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is Cc1ccc(C2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1.
What is the InChIKey of [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is MYQXWTBGIGVUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-4-6-17(7-5-15)21-13-20(16-8-10-19(26)11-9-16)24-25(21)22(27)18-3-2-12-23-14-18/h2-12,14,21,26H,13H2,1H3.
What are the key properties of [5-(4-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[5-(4-hydroxyphenyl)-3-(4-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-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 135860261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).