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

C25H19N3O3 — CID 24963235

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)o1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H19N3O3/c29-22-11-5-4-10-19(22)21-15-20(18-9-6-14-26-16-18)27-28(21)25(30)24-13-12-23(31-24)17-7-2-1-3-8-17/h1-14,16,21,29H,15H2
InChIKeyVGJNRXMQJWJBGI-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.04
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone (PubChem CID 24963235) has the molecular formula C25H19N3O3 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]-(5-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone
PubChem CID24963235
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)o1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H19N3O3/c29-22-11-5-4-10-19(22)21-15-20(18-9-6-14-26-16-18)27-28(21)25(30)24-13-12-23(31-24)17-7-2-1-3-8-17/h1-14,16,21,29H,15H2
InChIKeyVGJNRXMQJWJBGI-UHFFFAOYSA-N
XLogP5.04
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.04
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]-(5-phenylfuran-2-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone (CID 24963235) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone is O=C(c1ccc(-c2ccccc2)o1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone?
The InChIKey is VGJNRXMQJWJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c29-22-11-5-4-10-19(22)21-15-20(18-9-6-14-26-16-18)27-28(21)25(30)24-13-12-23(31-24)17-7-2-1-3-8-17/h1-14,16,21,29H,15H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenylfuran-2-yl)methanone has a molecular weight of 409.45 g/mol, XLogP of 5.04, 4 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]-(5-phenylfuran-2-yl)methanone is sourced from PubChem (CID 24963235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).