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

C24H21FN4O3 — CID 42742042

IUPACN-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C24H21FN4O3/c1-2-28(24(31)21-9-6-14-32-21)16-23(30)26-22-15-20(17-7-4-3-5-8-17)27-29(22)19-12-10-18(25)11-13-19/h3-15H,2,16H2,1H3,(H,26,30)
InChIKeyAGGIIMPRXKIERH-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.37
Rot. Bonds7

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

N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 42742042) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID42742042
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C24H21FN4O3/c1-2-28(24(31)21-9-6-14-32-21)16-23(30)26-22-15-20(17-7-4-3-5-8-17)27-29(22)19-12-10-18(25)11-13-19/h3-15H,2,16H2,1H3,(H,26,30)
InChIKeyAGGIIMPRXKIERH-UHFFFAOYSA-N
XLogP4.37
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[(3-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060992
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 1062345
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)heptanamide
CID 4304443
2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491737
2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 1052048
2-[(2-bromophenyl)carbamoyl-ethylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060987
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42741282
(E)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
CID 1056796
2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4680620
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-pentylhexanamide
CID 3524886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 42742042) is N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccco1.
What is the InChIKey of N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AGGIIMPRXKIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-2-28(24(31)21-9-6-14-32-21)16-23(30)26-22-15-20(17-7-4-3-5-8-17)27-29(22)19-12-10-18(25)11-13-19/h3-15H,2,16H2,1H3,(H,26,30).
What are the key properties of N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide?
N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 42742042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).