1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C13H22ClF3N4O — CID 120909336

IUPAC1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1nn(C)c(OCC(F)(F)F)c1CN1CC(C)C(N)C1.Cl
InChIInChI=1S/C13H21F3N4O.ClH/c1-8-4-20(6-11(8)17)5-10-9(2)18-19(3)12(10)21-7-13(14,15)16;/h8,11H,4-7,17H2,1-3H3;1H
InChIKeyGSJGJEYJVCFMLY-UHFFFAOYSA-N
MW342.79 g/mol
LogP1.87
Rot. Bonds4

About 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909336) has the molecular formula C13H22ClF3N4O and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909336
Molecular FormulaC13H22ClF3N4O
Molecular Weight342.79 g/mol
Exact Mass342.14
IUPAC Name1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1nn(C)c(OCC(F)(F)F)c1CN1CC(C)C(N)C1.Cl
InChIInChI=1S/C13H21F3N4O.ClH/c1-8-4-20(6-11(8)17)5-10-9(2)18-19(3)12(10)21-7-13(14,15)16;/h8,11H,4-7,17H2,1-3H3;1H
InChIKeyGSJGJEYJVCFMLY-UHFFFAOYSA-N
XLogP1.87
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909336) is 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is Cc1nn(C)c(OCC(F)(F)F)c1CN1CC(C)C(N)C1.Cl.
What is the InChIKey of 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is GSJGJEYJVCFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O.ClH/c1-8-4-20(6-11(8)17)5-10-9(2)18-19(3)12(10)21-7-13(14,15)16;/h8,11H,4-7,17H2,1-3H3;1H.
What are the key properties of 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 342.79 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).