N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

C17H21F3N4O — CID 119609023

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C17H21F3N4O/c1-11(2)16(3,10-21)23-15(25)12-5-4-6-13(9-12)24-14(7-8-22-24)17(18,19)20/h4-9,11H,10,21H2,1-3H3,(H,23,25)
InChIKeyYQUATWCTMOEQFF-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.99
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 119609023) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID119609023
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C17H21F3N4O/c1-11(2)16(3,10-21)23-15(25)12-5-4-6-13(9-12)24-14(7-8-22-24)17(18,19)20/h4-9,11H,10,21H2,1-3H3,(H,23,25)
InChIKeyYQUATWCTMOEQFF-UHFFFAOYSA-N
XLogP2.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
N-[(2S)-1-aminopropan-2-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120505817
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119608584
N-(2-amino-2-ethylbutyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119643925
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
ethyl 3-cyano-3-[[3-[5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]propanoate
CID 166415900
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139002833
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 119609023) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is CC(C)C(C)(CN)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is YQUATWCTMOEQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-11(2)16(3,10-21)23-15(25)12-5-4-6-13(9-12)24-14(7-8-22-24)17(18,19)20/h4-9,11H,10,21H2,1-3H3,(H,23,25).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 119609023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).