2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C7H7F6N3O2 — CID 118092447

IUPAC2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccn(CC(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6F3N3.C2HF3O2/c6-5(7,8)3-11-2-1-4(9)10-11;3-2(4,5)1(6)7/h1-2H,3H2,(H2,9,10);(H,6,7)
InChIKeyFAUIUUZVDBWJMT-UHFFFAOYSA-N
MW279.14 g/mol
LogP1.66
Rot. Bonds1

About 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine

2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 118092447) has the molecular formula C7H7F6N3O2 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID118092447
Molecular FormulaC7H7F6N3O2
Molecular Weight279.14 g/mol
Exact Mass279.04
IUPAC Name2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccn(CC(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6F3N3.C2HF3O2/c6-5(7,8)3-11-2-1-4(9)10-11;3-2(4,5)1(6)7/h1-2H,3H2,(H2,9,10);(H,6,7)
InChIKeyFAUIUUZVDBWJMT-UHFFFAOYSA-N
XLogP1.66
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622830
1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 50896592
methyl 2-(3-amino-1H-pyrazol-1-yl)acetate
CID 50989159
1-(difluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 53629698
methyl 3-(3-amino-1H-pyrazol-1-yl)propanoate
CID 63949312
1-(Trifluoromethyl)-1H-pyrazol-3-amine
CID 67295555
1-(2-fluoroethyl)-1H-pyrazol-3-amine
CID 80697859
1-(azetidin-3-yl)-1H-pyrazol-3-amine; trifluoroacetic acid
CID 146155642
1-(difluoromethyl)-1H-pyrazol-3-amine
CID 23160373
1-(1,2,2-Trifluoroethyl)pyrazol-3-amine
CID 67163953
2-Ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68726135

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 118092447) is 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Nc1ccn(CC(F)(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is FAUIUUZVDBWJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.C2HF3O2/c6-5(7,8)3-11-2-1-4(9)10-11;3-2(4,5)1(6)7/h1-2H,3H2,(H2,9,10);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 279.14 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 118092447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).