(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride

C16H20ClF3N4O — CID 154903187

IUPAC(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C16H19F3N4O.ClH/c1-11-9-14(16(17,18)19)22-23(11)8-7-21-15(24)13(20)10-12-5-3-2-4-6-12;/h2-6,9,13H,7-8,10,20H2,1H3,(H,21,24);1H/t13-;/m0./s1
InChIKeyWKFQDCOYAVGDIM-ZOWNYOTGSA-N
MW376.81 g/mol
LogP2.32
Rot. Bonds6

About (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 154903187) has the molecular formula C16H20ClF3N4O and a molecular weight of 376.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID154903187
Molecular FormulaC16H20ClF3N4O
Molecular Weight376.81 g/mol
Exact Mass376.13
IUPAC Name(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C16H19F3N4O.ClH/c1-11-9-14(16(17,18)19)22-23(11)8-7-21-15(24)13(20)10-12-5-3-2-4-6-12;/h2-6,9,13H,7-8,10,20H2,1H3,(H,21,24);1H/t13-;/m0./s1
InChIKeyWKFQDCOYAVGDIM-ZOWNYOTGSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide
CID 91836285
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-phenylthiourea
CID 19334188
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CID 119336013
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride (CID 154903187) is (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride is Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is WKFQDCOYAVGDIM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H19F3N4O.ClH/c1-11-9-14(16(17,18)19)22-23(11)8-7-21-15(24)13(20)10-12-5-3-2-4-6-12;/h2-6,9,13H,7-8,10,20H2,1H3,(H,21,24);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 376.81 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 154903187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).