[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

C25H20N4O2 — CID 24965371

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H20N4O2/c30-24-11-5-4-10-19(24)23-15-22(18-9-6-14-26-16-18)28-29(23)25(31)21-13-12-20(27-21)17-7-2-1-3-8-17/h1-14,16,23,27,30H,15H2
InChIKeyMOCOGWBLXIBCJH-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.77
Rot. Bonds4

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (PubChem CID 24965371) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
PubChem CID24965371
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H20N4O2/c30-24-11-5-4-10-19(24)23-15-22(18-9-6-14-26-16-18)28-29(23)25(31)21-13-12-20(27-21)17-7-2-1-3-8-17/h1-14,16,23,27,30H,15H2
InChIKeyMOCOGWBLXIBCJH-UHFFFAOYSA-N
XLogP4.77
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (CID 24965371) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone is O=C(c1ccc(-c2ccccc2)[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The InChIKey is MOCOGWBLXIBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24-11-5-4-10-19(24)23-15-22(18-9-6-14-26-16-18)28-29(23)25(31)21-13-12-20(27-21)17-7-2-1-3-8-17/h1-14,16,23,27,30H,15H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone has a molecular weight of 408.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 24965371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).