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

C16H19F3N4O — CID 91836285

IUPAC(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H19F3N4O/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)/t13-/m0/s1
InChIKeyJNTOHZWPZVSPOX-ZDUSSCGKSA-N
MW340.35 g/mol
LogP1.90
Rot. Bonds6

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

(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide (PubChem CID 91836285) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide
PubChem CID91836285
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H19F3N4O/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)/t13-/m0/s1
InChIKeyJNTOHZWPZVSPOX-ZDUSSCGKSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride
CID 154903187
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 119336013
1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-phenylthiourea
CID 19334188
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
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
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
CID 2225442
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide (CID 91836285) is (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide?
The InChIKey is JNTOHZWPZVSPOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F3N4O/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)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide has a molecular weight of 340.35 g/mol, XLogP of 1.90, 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 is sourced from PubChem (CID 91836285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).