(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide

C23H18FN3O2 — CID 2394258

IUPAC(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C23H18FN3O2/c24-19-11-8-17(9-12-19)23-18(16-27(26-23)20-5-2-1-3-6-20)10-13-22(28)25-15-21-7-4-14-29-21/h1-14,16H,15H2,(H,25,28)/b13-10+
InChIKeyKINOGTVZCBHINV-JLHYYAGUSA-N
MW387.41 g/mol
LogP4.60
Rot. Bonds6

About (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide

(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 2394258) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID2394258
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C23H18FN3O2/c24-19-11-8-17(9-12-19)23-18(16-27(26-23)20-5-2-1-3-6-20)10-13-22(28)25-15-21-7-4-14-29-21/h1-14,16H,15H2,(H,25,28)/b13-10+
InChIKeyKINOGTVZCBHINV-JLHYYAGUSA-N
XLogP4.60
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide (CID 2394258) is (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is KINOGTVZCBHINV-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-11-8-17(9-12-19)23-18(16-27(26-23)20-5-2-1-3-6-20)10-13-22(28)25-15-21-7-4-14-29-21/h1-14,16H,15H2,(H,25,28)/b13-10+.
What are the key properties of (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 387.41 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 2394258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).