(4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate

C5H4F3N3O2 — CID 155225263

IUPAC(4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate
SMILESNc1cn[nH]c1OC(=O)C(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4(12)13-3-2(9)1-10-11-3/h1H,9H2,(H,10,11)
InChIKeyGHFKUGQINCYOAG-UHFFFAOYSA-N
MW195.10 g/mol
LogP0.46
Rot. Bonds1

About (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate

(4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate (PubChem CID 155225263) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate
PubChem CID155225263
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name(4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate
SMILESNc1cn[nH]c1OC(=O)C(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4(12)13-3-2(9)1-10-11-3/h1H,9H2,(H,10,11)
InChIKeyGHFKUGQINCYOAG-UHFFFAOYSA-N
XLogP0.46
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate (CID 155225263) is (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate is Nc1cn[nH]c1OC(=O)C(F)(F)F.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate?
The InChIKey is GHFKUGQINCYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)4(12)13-3-2(9)1-10-11-3/h1H,9H2,(H,10,11).
What are the key properties of (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate?
(4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate has a molecular weight of 195.10 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 155225263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).