2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H16F3N3O2 — CID 79258433

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1cc(CN(CC(=O)O)CC(F)(F)F)n(C)n1
InChIInChI=1S/C11H16F3N3O2/c1-3-8-4-9(16(2)15-8)5-17(6-10(18)19)7-11(12,13)14/h4H,3,5-7H2,1-2H3,(H,18,19)
InChIKeyMZUIZFLRAYWYSH-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.43
Rot. Bonds6

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258433) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258433
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1cc(CN(CC(=O)O)CC(F)(F)F)n(C)n1
InChIInChI=1S/C11H16F3N3O2/c1-3-8-4-9(16(2)15-8)5-17(6-10(18)19)7-11(12,13)14/h4H,3,5-7H2,1-2H3,(H,18,19)
InChIKeyMZUIZFLRAYWYSH-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494848
1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389742
2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 112671444
2-[(1,3-dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83095175
N-(2-bromoethyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488604
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661679
methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536442
N-(2-bromoethyl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487497
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258433) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1cc(CN(CC(=O)O)CC(F)(F)F)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is MZUIZFLRAYWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-3-8-4-9(16(2)15-8)5-17(6-10(18)19)7-11(12,13)14/h4H,3,5-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.26 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).