[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C20H20FN3O4 — CID 55648964

IUPAC[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(Cn2cccn2)o1)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O4/c1-13(15-4-6-16(21)7-5-15)23-19(25)14(2)27-20(26)18-9-8-17(28-18)12-24-11-3-10-22-24/h3-11,13-14H,12H2,1-2H3,(H,23,25)
InChIKeyIQUAUQQFWJHSFZ-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.09
Rot. Bonds7

About [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55648964) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID55648964
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(Cn2cccn2)o1)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O4/c1-13(15-4-6-16(21)7-5-15)23-19(25)14(2)27-20(26)18-9-8-17(28-18)12-24-11-3-10-22-24/h3-11,13-14H,12H2,1-2H3,(H,23,25)
InChIKeyIQUAUQQFWJHSFZ-UHFFFAOYSA-N
XLogP3.09
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate with MolForge

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Related Compounds

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646692
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 5-(benzenesulfonylmethyl)furan-2-carboxylate
CID 31402857
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646699
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
(1-anilino-1-oxopropan-2-yl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 47019047
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646701
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646764
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55648964) is [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is CC(OC(=O)c1ccc(Cn2cccn2)o1)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is IQUAUQQFWJHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-13(15-4-6-16(21)7-5-15)23-19(25)14(2)27-20(26)18-9-8-17(28-18)12-24-11-3-10-22-24/h3-11,13-14H,12H2,1-2H3,(H,23,25).
What are the key properties of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 385.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55648964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).