N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C17H21F3N4O — CID 119656567

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H21F3N4O/c1-16(2,10-21)11-23(3)15(25)12-5-4-6-13(9-12)24-8-7-14(22-24)17(18,19)20/h4-9H,10-11,21H2,1-3H3
InChIKeyBTEUWJCWBRLLSQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.95
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 119656567) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID119656567
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H21F3N4O/c1-16(2,10-21)11-23(3)15(25)12-5-4-6-13(9-12)24-8-7-14(22-24)17(18,19)20/h4-9H,10-11,21H2,1-3H3
InChIKeyBTEUWJCWBRLLSQ-UHFFFAOYSA-N
XLogP2.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119584808
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119584807
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71969427
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119653449
N-[(2R)-2-(ethylamino)propyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 120650260
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221
3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
CID 141095327
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 167871863

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 119656567) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CN(CC(C)(C)CN)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is BTEUWJCWBRLLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-16(2,10-21)11-23(3)15(25)12-5-4-6-13(9-12)24-8-7-14(22-24)17(18,19)20/h4-9H,10-11,21H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 119656567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).