2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid

C7H8F3N3O2 — CID 154882047

IUPAC2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid
SMILESCn1nc(NCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-13-4(7(8,9)10)2-5(12-13)11-3-6(14)15/h2H,3H2,1H3,(H,11,12)(H,14,15)
InChIKeyUJRHPGFHPWUENK-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.94
Rot. Bonds3

About 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid

2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid (PubChem CID 154882047) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid
PubChem CID154882047
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid
SMILESCn1nc(NCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-13-4(7(8,9)10)2-5(12-13)11-3-6(14)15/h2H,3H2,1H3,(H,11,12)(H,14,15)
InChIKeyUJRHPGFHPWUENK-UHFFFAOYSA-N
XLogP0.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid?
The IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid (CID 154882047) is 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid is Cn1nc(NCC(=O)O)cc1C(F)(F)F.
What is the InChIKey of 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid?
The InChIKey is UJRHPGFHPWUENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-13-4(7(8,9)10)2-5(12-13)11-3-6(14)15/h2H,3H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid?
2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid has a molecular weight of 223.15 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid is sourced from PubChem (CID 154882047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).