N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C21H21F3N4O4S — CID 55947686

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)cc2OC)cc1C
InChIInChI=1S/C21H21F3N4O4S/c1-4-33(30,31)27-17-9-8-15(10-13(17)2)25-20(29)19-18(32-3)12-28(26-19)16-7-5-6-14(11-16)21(22,23)24/h5-12,27H,4H2,1-3H3,(H,25,29)
InChIKeyWKFGUERFWXCURJ-UHFFFAOYSA-N
MW482.48 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55947686) has the molecular formula C21H21F3N4O4S and a molecular weight of 482.48 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID55947686
Molecular FormulaC21H21F3N4O4S
Molecular Weight482.48 g/mol
Exact Mass482.12
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)cc2OC)cc1C
InChIInChI=1S/C21H21F3N4O4S/c1-4-33(30,31)27-17-9-8-15(10-13(17)2)25-20(29)19-18(32-3)12-28(26-19)16-7-5-6-14(11-16)21(22,23)24/h5-12,27H,4H2,1-3H3,(H,25,29)
InChIKeyWKFGUERFWXCURJ-UHFFFAOYSA-N
XLogP4.22
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55802087
N-[4-(diethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622491
N-[2-chloro-5-(propanoylamino)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55799392
methyl 2-[[4-[[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]benzoyl]amino]acetate
CID 55509890
N-(2-ethoxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624365
4-methoxy-N-(4-morpholin-4-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24621815
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622406
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55795979
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-N-quinolin-8-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624522
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55577176
4-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55509923

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 55947686) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)cc2OC)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is WKFGUERFWXCURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4S/c1-4-33(30,31)27-17-9-8-15(10-13(17)2)25-20(29)19-18(32-3)12-28(26-19)16-7-5-6-14(11-16)21(22,23)24/h5-12,27H,4H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55947686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).