N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide

C25H23FN4O3 — CID 1052047

IUPACN-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C25H23FN4O3/c1-2-14-29(25(32)22-9-6-15-33-22)17-24(31)27-23-16-21(18-7-4-3-5-8-18)28-30(23)20-12-10-19(26)11-13-20/h3-13,15-16H,2,14,17H2,1H3,(H,27,31)
InChIKeyWAURUTMMGOGDSB-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.76
Rot. Bonds8

About N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide

N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide (PubChem CID 1052047) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide
PubChem CID1052047
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC NameN-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C25H23FN4O3/c1-2-14-29(25(32)22-9-6-15-33-22)17-24(31)27-23-16-21(18-7-4-3-5-8-18)28-30(23)20-12-10-19(26)11-13-20/h3-13,15-16H,2,14,17H2,1H3,(H,27,31)
InChIKeyWAURUTMMGOGDSB-UHFFFAOYSA-N
XLogP4.76
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide?
The IUPAC name of N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide (CID 1052047) is N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide?
The InChIKey is WAURUTMMGOGDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-2-14-29(25(32)22-9-6-15-33-22)17-24(31)27-23-16-21(18-7-4-3-5-8-18)28-30(23)20-12-10-19(26)11-13-20/h3-13,15-16H,2,14,17H2,1H3,(H,27,31).
What are the key properties of N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide?
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 1052047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).