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

C6H9ClF3N3 — CID 170918200

IUPAC3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(C(F)(F)F)c(C)c1N.Cl
InChIInChI=1S/C6H8F3N3.ClH/c1-3-5(10)4(2)12(11-3)6(7,8)9;/h10H2,1-2H3;1H
InChIKeyBIXQWRAPMMTJDA-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.98
Rot. Bonds

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

3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 170918200) has the molecular formula C6H9ClF3N3 and a molecular weight of 215.61 g/mol. Its IUPAC name is 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID170918200
Molecular FormulaC6H9ClF3N3
Molecular Weight215.61 g/mol
Exact Mass215.04
IUPAC Name3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(C(F)(F)F)c(C)c1N.Cl
InChIInChI=1S/C6H8F3N3.ClH/c1-3-5(10)4(2)12(11-3)6(7,8)9;/h10H2,1-2H3;1H
InChIKeyBIXQWRAPMMTJDA-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.98
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-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 170918200) is 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride is Cc1nn(C(F)(F)F)c(C)c1N.Cl.
What is the InChIKey of 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is BIXQWRAPMMTJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3.ClH/c1-3-5(10)4(2)12(11-3)6(7,8)9;/h10H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 215.61 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 170918200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).