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

C19H15N3O3 — CID 2971839

IUPACfuran-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccco1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C19H15N3O3/c23-17-7-2-1-6-14(17)16-11-15(13-5-3-9-20-12-13)21-22(16)19(24)18-8-4-10-25-18/h1-10,12,16,23H,11H2
InChIKeyWIYFQNKIVFKELN-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.37
Rot. Bonds3

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

furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 2971839) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID2971839
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Namefuran-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccco1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C19H15N3O3/c23-17-7-2-1-6-14(17)16-11-15(13-5-3-9-20-12-13)21-22(16)19(24)18-8-4-10-25-18/h1-10,12,16,23H,11H2
InChIKeyWIYFQNKIVFKELN-UHFFFAOYSA-N
XLogP3.37
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.37
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 furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (CID 2971839) is furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccco1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is WIYFQNKIVFKELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-17-7-2-1-6-14(17)16-11-15(13-5-3-9-20-12-13)21-22(16)19(24)18-8-4-10-25-18/h1-10,12,16,23H,11H2.
What are the key properties of furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 333.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 2971839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).