N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C23H21F3N4O2S — CID 51068752

IUPACN-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(C)c1c(CN(Cc2ccco2)C(=O)c2cccs2)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C23H21F3N4O2S/c1-28(2)21-18(20(23(24,25)26)27-30(21)16-8-4-3-5-9-16)15-29(14-17-10-6-12-32-17)22(31)19-11-7-13-33-19/h3-13H,14-15H2,1-2H3
InChIKeyZCBZBJZDFZBKTK-UHFFFAOYSA-N
MW474.51 g/mol
LogP5.45
Rot. Bonds7

About N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 51068752) has the molecular formula C23H21F3N4O2S and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID51068752
Molecular FormulaC23H21F3N4O2S
Molecular Weight474.51 g/mol
Exact Mass474.13
IUPAC NameN-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(C)c1c(CN(Cc2ccco2)C(=O)c2cccs2)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C23H21F3N4O2S/c1-28(2)21-18(20(23(24,25)26)27-30(21)16-8-4-3-5-9-16)15-29(14-17-10-6-12-32-17)22(31)19-11-7-13-33-19/h3-13H,14-15H2,1-2H3
InChIKeyZCBZBJZDFZBKTK-UHFFFAOYSA-N
XLogP5.45
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide
CID 51068756
N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 51068741
N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 31836968
N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42819182
N-[[5-(dimethylamino)-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 51068339
3-tert-butyl-1-(cyclopropylmethyl)-1-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]urea
CID 51069311
N-[[2-(dimethylamino)-5-[(2-fluorophenyl)carbamoylamino]phenyl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 46111224
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
5-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23735039
N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 4869481
N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 42817226

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 51068752) is N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is CN(C)c1c(CN(Cc2ccco2)C(=O)c2cccs2)c(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ZCBZBJZDFZBKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2S/c1-28(2)21-18(20(23(24,25)26)27-30(21)16-8-4-3-5-9-16)15-29(14-17-10-6-12-32-17)22(31)19-11-7-13-33-19/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 51068752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).