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

C15H18ClF3N4O — CID 119996808

IUPACN-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(8-19)9-20-14(23)11-3-2-4-12(7-11)22-6-5-13(21-22)15(16,17)18;/h2-7,10H,8-9,19H2,1H3,(H,20,23);1H
InChIKeyNGNVZQWDUBEDBP-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.64
Rot. Bonds5

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

N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (PubChem CID 119996808) has the molecular formula C15H18ClF3N4O and a molecular weight of 362.78 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
PubChem CID119996808
Molecular FormulaC15H18ClF3N4O
Molecular Weight362.78 g/mol
Exact Mass362.11
IUPAC NameN-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(8-19)9-20-14(23)11-3-2-4-12(7-11)22-6-5-13(21-22)15(16,17)18;/h2-7,10H,8-9,19H2,1H3,(H,20,23);1H
InChIKeyNGNVZQWDUBEDBP-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
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CID 119584807
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119584808
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
N-[2-(aminomethyl)cyclohexyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119612152
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520
N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
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CID 119537660
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71969427
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997
[2-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (CID 119996808) is N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is CC(CN)CNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The InChIKey is NGNVZQWDUBEDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O.ClH/c1-10(8-19)9-20-14(23)11-3-2-4-12(7-11)22-6-5-13(21-22)15(16,17)18;/h2-7,10H,8-9,19H2,1H3,(H,20,23);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is sourced from PubChem (CID 119996808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).