N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide

C22H23F3N4O — CID 53324197

IUPACN-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNCC(F)(F)F)cc3)[nH]n2)c1
InChIInChI=1S/C22H23F3N4O/c1-14(2)27-21(30)18-5-3-4-17(10-18)20-11-19(28-29-20)16-8-6-15(7-9-16)12-26-13-22(23,24)25/h3-11,14,26H,12-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXNUGQQDGTQJPAK-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.53
Rot. Bonds7

About N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide

N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 53324197) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID53324197
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC NameN-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNCC(F)(F)F)cc3)[nH]n2)c1
InChIInChI=1S/C22H23F3N4O/c1-14(2)27-21(30)18-5-3-4-17(10-18)20-11-19(28-29-20)16-8-6-15(7-9-16)12-26-13-22(23,24)25/h3-11,14,26H,12-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXNUGQQDGTQJPAK-UHFFFAOYSA-N
XLogP4.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
CID 66889752
N-[(2S)-4-phenylbutan-2-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92772919
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664
N-[(4-methoxyphenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 46091627
3-[5-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
CID 66893760
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 125179850
ethane;methyl 4-[3-[3-[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzoate
CID 144790688
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
N-(1,3-benzodioxol-5-ylmethyl)-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 46091589

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide (CID 53324197) is N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide is CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNCC(F)(F)F)cc3)[nH]n2)c1.
What is the InChIKey of N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is XNUGQQDGTQJPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-14(2)27-21(30)18-5-3-4-17(10-18)20-11-19(28-29-20)16-8-6-15(7-9-16)12-26-13-22(23,24)25/h3-11,14,26H,12-13H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53324197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).