N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

C15H18ClF3N4O — CID 119584807

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(9-19)21(2)14(23)11-4-3-5-12(8-11)22-7-6-13(20-22)15(16,17)18;/h3-8,10H,9,19H2,1-2H3;1H
InChIKeyVAUXHWNYKYUTRZ-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.73
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (PubChem CID 119584807) has the molecular formula C15H18ClF3N4O and a molecular weight of 362.78 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
PubChem CID119584807
Molecular FormulaC15H18ClF3N4O
Molecular Weight362.78 g/mol
Exact Mass362.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(9-19)21(2)14(23)11-4-3-5-12(8-11)22-7-6-13(20-22)15(16,17)18;/h3-8,10H,9,19H2,1-2H3;1H
InChIKeyVAUXHWNYKYUTRZ-UHFFFAOYSA-N
XLogP2.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.73
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-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71969427
N-[(2R)-2-(ethylamino)propyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 120650260
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
[2-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 119437375
N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119582677
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 167871863
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 120657928

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (CID 119584807) is N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is CC(CN)N(C)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The InChIKey is VAUXHWNYKYUTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O.ClH/c1-10(9-19)21(2)14(23)11-4-3-5-12(8-11)22-7-6-13(20-22)15(16,17)18;/h3-8,10H,9,19H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is sourced from PubChem (CID 119584807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).