1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid

C7H10F3N3O2 — CID 68912972

IUPAC1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(N)nn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N3.C2HF3O2/c1-4-3-5(6)7-8(4)2;3-2(4,5)1(6)7/h3H,1-2H3,(H2,6,7);(H,6,7)
InChIKeyUZFJQPWXQPPBDR-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.94
Rot. Bonds

About 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid

1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 68912972) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID68912972
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(N)nn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N3.C2HF3O2/c1-4-3-5(6)7-8(4)2;3-2(4,5)1(6)7/h3H,1-2H3,(H2,6,7);(H,6,7)
InChIKeyUZFJQPWXQPPBDR-UHFFFAOYSA-N
XLogP0.94
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623303
1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 22912798
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 90482949
5-(difluoromethyl)-1-methyl-1H-pyrazol-3-amine hydrochloride
CID 132349385
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45600694
2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 47000728
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 75481546
2,2,2-trifluoroethyl N-(1,5-dimethyl-1H-pyrazol-3-yl)carbamate
CID 129912647
(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 4737041

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid (CID 68912972) is 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid is Cc1cc(N)nn1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UZFJQPWXQPPBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C2HF3O2/c1-4-3-5(6)7-8(4)2;3-2(4,5)1(6)7/h3H,1-2H3,(H2,6,7);(H,6,7).
What are the key properties of 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid?
1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 225.17 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68912972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).