N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

C15H18ClF3N4O — CID 119630682

IUPACN-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-14(2,19)9-20-13(23)10-4-3-5-11(8-10)22-12(6-7-21-22)15(16,17)18;/h3-8H,9,19H2,1-2H3,(H,20,23);1H
InChIKeyMFQAQVIZGINVCH-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.78
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (PubChem CID 119630682) has the molecular formula C15H18ClF3N4O and a molecular weight of 362.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
PubChem CID119630682
Molecular FormulaC15H18ClF3N4O
Molecular Weight362.78 g/mol
Exact Mass362.11
IUPAC NameN-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-14(2,19)9-20-13(23)10-4-3-5-11(8-10)22-12(6-7-21-22)15(16,17)18;/h3-8H,9,19H2,1-2H3,(H,20,23);1H
InChIKeyMFQAQVIZGINVCH-UHFFFAOYSA-N
XLogP2.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119643925
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361
N-[(2S)-1-aminopropan-2-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120505817
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119609023
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
ethyl 3-cyano-3-[[3-[5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]propanoate
CID 166415900
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 99703386
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 166416492

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (CID 119630682) is N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is CC(C)(N)CNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The InChIKey is MFQAQVIZGINVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O.ClH/c1-14(2,19)9-20-13(23)10-4-3-5-11(8-10)22-12(6-7-21-22)15(16,17)18;/h3-8H,9,19H2,1-2H3,(H,20,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is sourced from PubChem (CID 119630682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).