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

C15H17F3N4O — CID 119584808

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(CN)N(C)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C15H17F3N4O/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
InChIKeyMYWQSDYXVCCGGM-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.31
Rot. Bonds4

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

N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 119584808) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID119584808
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(CN)N(C)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C15H17F3N4O/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
InChIKeyMYWQSDYXVCCGGM-UHFFFAOYSA-N
XLogP2.31
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 139030332
CID 155557232
CID 155557232
3-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874840
2-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723780
3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723781
4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723782
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 119584808) is N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CC(CN)N(C)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is MYWQSDYXVCCGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/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.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 326.32 g/mol, XLogP of 2.31, 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 is sourced from PubChem (CID 119584808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).