1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid

C5H6F3N3O2 — CID 155225262

IUPAC1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1cn[nH]c1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N3.C2HF3O2/c4-3-1-5-6-2-3;3-2(4,5)1(6)7/h1-2H,4H2,(H,5,6);(H,6,7)
InChIKeyOALXGAFPXHXRMO-UHFFFAOYSA-N
MW197.12 g/mol
LogP0.63
Rot. Bonds

About 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid

1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225262) has the molecular formula C5H6F3N3O2 and a molecular weight of 197.12 g/mol. Its IUPAC name is 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155225262
Molecular FormulaC5H6F3N3O2
Molecular Weight197.12 g/mol
Exact Mass197.04
IUPAC Name1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1cn[nH]c1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N3.C2HF3O2/c4-3-1-5-6-2-3;3-2(4,5)1(6)7/h1-2H,4H2,(H,5,6);(H,6,7)
InChIKeyOALXGAFPXHXRMO-UHFFFAOYSA-N
XLogP0.63
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid (CID 155225262) is 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid is Nc1cn[nH]c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OALXGAFPXHXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.C2HF3O2/c4-3-1-5-6-2-3;3-2(4,5)1(6)7/h1-2H,4H2,(H,5,6);(H,6,7).
What are the key properties of 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid?
1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 197.12 g/mol, XLogP of 0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).