3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine

C19H15N3O — CID 162646632

IUPAC3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESC=C(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C19H15N3O/c1-12(2)13-3-5-14(6-4-13)16-11-23-18-8-7-17(22-19(16)18)15-9-20-21-10-15/h3-11H,1H2,2H3,(H,20,21)
InChIKeyUQRGNUXIYRRBER-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.92
Rot. Bonds3

About 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine

3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162646632) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID162646632
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESC=C(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C19H15N3O/c1-12(2)13-3-5-14(6-4-13)16-11-23-18-8-7-17(22-19(16)18)15-9-20-21-10-15/h3-11H,1H2,2H3,(H,20,21)
InChIKeyUQRGNUXIYRRBER-UHFFFAOYSA-N
XLogP4.92
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (CID 162646632) is 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is C=C(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1.
What is the InChIKey of 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is UQRGNUXIYRRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-12(2)13-3-5-14(6-4-13)16-11-23-18-8-7-17(22-19(16)18)15-9-20-21-10-15/h3-11H,1H2,2H3,(H,20,21).
What are the key properties of 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 301.35 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-1-en-2-ylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162646632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).