(E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one

C21H15N3O2 — CID 5337414

IUPAC(E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccco1
InChIInChI=1S/C21H15N3O2/c25-19(20-9-5-13-26-20)11-10-17-15-24(18-7-2-1-3-8-18)23-21(17)16-6-4-12-22-14-16/h1-15H/b11-10+
InChIKeyFUULHFSDQJHOJM-ZHACJKMWSA-N
MW341.37 g/mol
LogP4.42
Rot. Bonds5

About (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one

(E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 5337414) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
PubChem CID5337414
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name(E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccco1
InChIInChI=1S/C21H15N3O2/c25-19(20-9-5-13-26-20)11-10-17-15-24(18-7-2-1-3-8-18)23-21(17)16-6-4-12-22-14-16/h1-15H/b11-10+
InChIKeyFUULHFSDQJHOJM-ZHACJKMWSA-N
XLogP4.42
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one (CID 5337414) is (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is FUULHFSDQJHOJM-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-19(20-9-5-13-26-20)11-10-17-15-24(18-7-2-1-3-8-18)23-21(17)16-6-4-12-22-14-16/h1-15H/b11-10+.
What are the key properties of (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
(E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 341.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 5337414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).