[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone

C27H21N3O3 — CID 24965013

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccc2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H21N3O3/c31-26-14-5-4-13-23(26)25-17-24(20-9-7-15-28-18-20)29-30(25)27(32)19-8-6-12-22(16-19)33-21-10-2-1-3-11-21/h1-16,18,25,31H,17H2
InChIKeyRATDJMAJNMTSHA-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.57
Rot. Bonds5

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone (PubChem CID 24965013) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone
PubChem CID24965013
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccc2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H21N3O3/c31-26-14-5-4-13-23(26)25-17-24(20-9-7-15-28-18-20)29-30(25)27(32)19-8-6-12-22(16-19)33-21-10-2-1-3-11-21/h1-16,18,25,31H,17H2
InChIKeyRATDJMAJNMTSHA-UHFFFAOYSA-N
XLogP5.57
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone (CID 24965013) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone is O=C(c1cccc(Oc2ccccc2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone?
The InChIKey is RATDJMAJNMTSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c31-26-14-5-4-13-23(26)25-17-24(20-9-7-15-28-18-20)29-30(25)27(32)19-8-6-12-22(16-19)33-21-10-2-1-3-11-21/h1-16,18,25,31H,17H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone has a molecular weight of 435.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-phenoxyphenyl)methanone is sourced from PubChem (CID 24965013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).