(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid

C15H14F3N3O3 — CID 119244624

IUPAC(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N[C@H](C)C(=O)O)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O3/c1-8(14(23)24)20-13(22)12-7-19-21(9(12)2)11-5-3-4-10(6-11)15(16,17)18/h3-8H,1-2H3,(H,20,22)(H,23,24)/t8-/m1/s1
InChIKeyXUCYSTANHLRKGF-MRVPVSSYSA-N
MW341.29 g/mol
LogP2.40
Rot. Bonds4

About (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid

(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 119244624) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
PubChem CID119244624
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N[C@H](C)C(=O)O)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O3/c1-8(14(23)24)20-13(22)12-7-19-21(9(12)2)11-5-3-4-10(6-11)15(16,17)18/h3-8H,1-2H3,(H,20,22)(H,23,24)/t8-/m1/s1
InChIKeyXUCYSTANHLRKGF-MRVPVSSYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119360282
3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 119212172
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 35257790
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
5-methyl-N-[4-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55788013
N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514572
3-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 167789748
N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119599457

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid (CID 119244624) is (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid is Cc1c(C(=O)N[C@H](C)C(=O)O)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is XUCYSTANHLRKGF-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-8(14(23)24)20-13(22)12-7-19-21(9(12)2)11-5-3-4-10(6-11)15(16,17)18/h3-8H,1-2H3,(H,20,22)(H,23,24)/t8-/m1/s1.
What are the key properties of (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid?
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 341.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119244624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).