N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide

C23H24F4N4O — CID 51068756

IUPACN-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24F4N4O/c1-4-14-30(22(32)16-10-12-17(24)13-11-16)15-19-20(23(25,26)27)28-31(21(19)29(2)3)18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3
InChIKeyNUYUAVBUMRRALS-UHFFFAOYSA-N
MW448.46 g/mol
LogP5.15
Rot. Bonds7

About N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide

N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide (PubChem CID 51068756) has the molecular formula C23H24F4N4O and a molecular weight of 448.46 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide
PubChem CID51068756
Molecular FormulaC23H24F4N4O
Molecular Weight448.46 g/mol
Exact Mass448.19
IUPAC NameN-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24F4N4O/c1-4-14-30(22(32)16-10-12-17(24)13-11-16)15-19-20(23(25,26)27)28-31(21(19)29(2)3)18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3
InChIKeyNUYUAVBUMRRALS-UHFFFAOYSA-N
XLogP5.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-(cyclopropylmethyl)-1-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]urea
CID 51069311
N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 51068752
N-[[5-(dimethylamino)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51068736
N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51068583
2-chloro-N-[[5-(dimethylamino)-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 51068306
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
N-[[5-(dimethylamino)-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 51068339
N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide
CID 51069649
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 46080661
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
CID 46080673
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-pentyl-N-propylbenzamide
CID 46078009
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide?
The IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide (CID 51068756) is N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide?
The canonical SMILES for N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide is CCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide?
The InChIKey is NUYUAVBUMRRALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O/c1-4-14-30(22(32)16-10-12-17(24)13-11-16)15-19-20(23(25,26)27)28-31(21(19)29(2)3)18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3.
What are the key properties of N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide?
N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide has a molecular weight of 448.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 51068756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).