[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone

C24H19N5O2 — CID 24967131

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H19N5O2/c30-23-10-2-1-9-20(23)22-15-21(18-7-4-11-25-16-18)27-29(22)24(31)17-6-3-8-19(14-17)28-13-5-12-26-28/h1-14,16,22,30H,15H2
InChIKeyTWIBJRRRYBAZFC-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.96
Rot. Bonds4

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 24967131) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID24967131
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H19N5O2/c30-23-10-2-1-9-20(23)22-15-21(18-7-4-11-25-16-18)27-29(22)24(31)17-6-3-8-19(14-17)28-13-5-12-26-28/h1-14,16,22,30H,15H2
InChIKeyTWIBJRRRYBAZFC-UHFFFAOYSA-N
XLogP3.96
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 24967131) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccn2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is TWIBJRRRYBAZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c30-23-10-2-1-9-20(23)22-15-21(18-7-4-11-25-16-18)27-29(22)24(31)17-6-3-8-19(14-17)28-13-5-12-26-28/h1-14,16,22,30H,15H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 409.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 24967131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).