N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide

C23H25FN4O3 — CID 60592438

IUPACN-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C23H25FN4O3/c1-5-27(14-21(29)25-18-7-6-8-20(13-18)31-4)23(30)22-15(2)26-28(16(22)3)19-11-9-17(24)10-12-19/h6-13H,5,14H2,1-4H3,(H,25,29)
InChIKeyCCRUXILYFCOXPZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.74
Rot. Bonds7

About N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide

N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 60592438) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID60592438
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C23H25FN4O3/c1-5-27(14-21(29)25-18-7-6-8-20(13-18)31-4)23(30)22-15(2)26-28(16(22)3)19-11-9-17(24)10-12-19/h6-13H,5,14H2,1-4H3,(H,25,29)
InChIKeyCCRUXILYFCOXPZ-UHFFFAOYSA-N
XLogP3.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methoxyphenyl)prop-2-enamide
CID 26914489
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 34333616
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46582138
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
3-(dipropylsulfamoyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 4832393
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]acetamide
CID 3458566
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide (CID 60592438) is N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is CCRUXILYFCOXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-5-27(14-21(29)25-18-7-6-8-20(13-18)31-4)23(30)22-15(2)26-28(16(22)3)19-11-9-17(24)10-12-19/h6-13H,5,14H2,1-4H3,(H,25,29).
What are the key properties of N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 60592438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).