3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride

C7H11ClF3N3 — CID 90484320

IUPAC3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(CC(F)(F)F)c(C)c1N.Cl
InChIInChI=1S/C7H10F3N3.ClH/c1-4-6(11)5(2)13(12-4)3-7(8,9)10;/h3,11H2,1-2H3;1H
InChIKeyMXXOATVFAMXFOC-UHFFFAOYSA-N
MW229.63 g/mol
LogP2.07
Rot. Bonds1

About 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride

3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride (PubChem CID 90484320) has the molecular formula C7H11ClF3N3 and a molecular weight of 229.63 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
PubChem CID90484320
Molecular FormulaC7H11ClF3N3
Molecular Weight229.63 g/mol
Exact Mass229.06
IUPAC Name3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(CC(F)(F)F)c(C)c1N.Cl
InChIInChI=1S/C7H10F3N3.ClH/c1-4-6(11)5(2)13(12-4)3-7(8,9)10;/h3,11H2,1-2H3;1H
InChIKeyMXXOATVFAMXFOC-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride (CID 90484320) is 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride is Cc1nn(CC(F)(F)F)c(C)c1N.Cl.
What is the InChIKey of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is MXXOATVFAMXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3.ClH/c1-4-6(11)5(2)13(12-4)3-7(8,9)10;/h3,11H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 229.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 90484320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).