3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide

C24H21FN4O3 — CID 17425443

IUPAC3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O3/c1-28(16-22(30)26-14-20-8-5-13-32-20)24(31)21-15-29(19-6-3-2-4-7-19)27-23(21)17-9-11-18(25)12-10-17/h2-13,15H,14,16H2,1H3,(H,26,30)
InChIKeyLXBNGDZGHMTSSE-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.66
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 17425443) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID17425443
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O3/c1-28(16-22(30)26-14-20-8-5-13-32-20)24(31)21-15-29(19-6-3-2-4-7-19)27-23(21)17-9-11-18(25)12-10-17/h2-13,15H,14,16H2,1H3,(H,26,30)
InChIKeyLXBNGDZGHMTSSE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 17446948
3-(4-fluorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-4-carboxamide
CID 16573857
3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 39969631
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 27788275
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
CID 8914987
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide
CID 17487756
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17411184
(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 15870546
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 4985586

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide (CID 17425443) is 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is LXBNGDZGHMTSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-28(16-22(30)26-14-20-8-5-13-32-20)24(31)21-15-29(19-6-3-2-4-7-19)27-23(21)17-9-11-18(25)12-10-17/h2-13,15H,14,16H2,1H3,(H,26,30).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 17425443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).