2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H16F3N3O2 — CID 112671444

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nn(C)cc1CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-3-9-8(4-16(2)15-9)5-17(6-10(18)19)7-11(12,13)14/h4H,3,5-7H2,1-2H3,(H,18,19)
InChIKeyUZEFPYLFDGFKPE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.43
Rot. Bonds6

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 112671444) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID112671444
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nn(C)cc1CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-3-9-8(4-16(2)15-9)5-17(6-10(18)19)7-11(12,13)14/h4H,3,5-7H2,1-2H3,(H,18,19)
InChIKeyUZEFPYLFDGFKPE-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

2-[(1,3-dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83095175
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258433
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-ethylamino]acetic acid
CID 83095265
2-[ethyl-[(3-ethyl-1-methylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 112671409
3-[tert-butyl-[(3-ethyl-1-methylpyrazol-4-yl)methyl]amino]propanoic acid
CID 112671401
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115991357
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline
CID 86806790
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 112669353
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 115991082
2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266500

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 112671444) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1nn(C)cc1CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UZEFPYLFDGFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-3-9-8(4-16(2)15-9)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-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-ethyl-1-methylpyrazol-4-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-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 112671444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).