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

C6H6F3N3O2 — CID 79872710

IUPAC2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESNc1cc(C(F)(F)F)n(CC(=O)O)n1
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)3-1-4(10)11-12(3)2-5(13)14/h1H,2H2,(H2,10,11)(H,13,14)
InChIKeyYMBBACARFMGPDC-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.57
Rot. Bonds2

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

2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 79872710) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID79872710
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESNc1cc(C(F)(F)F)n(CC(=O)O)n1
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)3-1-4(10)11-12(3)2-5(13)14/h1H,2H2,(H2,10,11)(H,13,14)
InChIKeyYMBBACARFMGPDC-UHFFFAOYSA-N
XLogP0.57
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

tert-butyl 2-[3-carbamoyl-5-(trifluoromethyl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 158316494
2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 25247830
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
CID 71223421
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 166086691
2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid
CID 54517264
2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid
CID 63277377
N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide
CID 19521875
2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 89354073
2-[3-methyl-6-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
CID 25247865
2-(6-aminobenzotriazol-1-yl)acetic acid
CID 83681383
2-[5-oxo-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]acetic acid
CID 83824680

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid (CID 79872710) is 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid is Nc1cc(C(F)(F)F)n(CC(=O)O)n1.
What is the InChIKey of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is YMBBACARFMGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c7-6(8,9)3-1-4(10)11-12(3)2-5(13)14/h1H,2H2,(H2,10,11)(H,13,14).
What are the key properties of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid?
2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 209.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 79872710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).