2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid

C7H10F3N3O2 — CID 68726135

IUPAC2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCCn1nccc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N3.C2HF3O2/c1-2-8-5(6)3-4-7-8;3-2(4,5)1(6)7/h3-4H,2,6H2,1H3;(H,6,7)
InChIKeyYXCJZBIQXDGMLN-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.12
Rot. Bonds1

About 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid

2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 68726135) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID68726135
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCCn1nccc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N3.C2HF3O2/c1-2-8-5(6)3-4-7-8;3-2(4,5)1(6)7/h3-4H,2,6H2,1H3;(H,6,7)
InChIKeyYXCJZBIQXDGMLN-UHFFFAOYSA-N
XLogP1.12
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-1H-pyrazol-5-amine
CID 337310
2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol
CID 320281
1-Propyl-1H-pyrazol-5-amine
CID 1084923
1-(2-fluoroethyl)-1H-pyrazol-5-amine
CID 21904553
1-(2,2-difluoroethyl)-1H-pyrazol-5-amine
CID 25247695
methyl 3-(3-amino-1H-pyrazol-1-yl)propanoate
CID 63949312
1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine hydrochloride
CID 131637690
1-(azetidin-3-yl)-1H-pyrazol-3-amine; trifluoroacetic acid
CID 146155642
ethyl 2-(5-amino-1H-pyrazol-1-yl)acetate hydrochloride
CID 165758789
2,2,2-Trifluoro-N-(1-methyl-3-pyrazolyl)acetamide
CID 19405082
1-(3,3,3-Trifluoropropyl)-1H-pyrazol-5-amine
CID 50896542
1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-amine
CID 56965641

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid (CID 68726135) is 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid is CCn1nccc1N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is YXCJZBIQXDGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C2HF3O2/c1-2-8-5(6)3-4-7-8;3-2(4,5)1(6)7/h3-4H,2,6H2,1H3;(H,6,7).
What are the key properties of 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 225.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68726135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).