1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride

C9H15ClF3N3O — CID 178139815

IUPAC1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCOc1cc(C(F)(F)F)nn1CC(C)(C)N.Cl
InChIInChI=1S/C9H14F3N3O.ClH/c1-8(2,13)5-15-7(16-3)4-6(14-15)9(10,11)12;/h4H,5,13H2,1-3H3;1H
InChIKeyMVVSCUWVTKDSIQ-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.07
Rot. Bonds3

About 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 178139815) has the molecular formula C9H15ClF3N3O and a molecular weight of 273.69 g/mol. Its IUPAC name is 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID178139815
Molecular FormulaC9H15ClF3N3O
Molecular Weight273.69 g/mol
Exact Mass273.09
IUPAC Name1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCOc1cc(C(F)(F)F)nn1CC(C)(C)N.Cl
InChIInChI=1S/C9H14F3N3O.ClH/c1-8(2,13)5-15-7(16-3)4-6(14-15)9(10,11)12;/h4H,5,13H2,1-3H3;1H
InChIKeyMVVSCUWVTKDSIQ-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1,3-dimethyl-1H-pyrazole
CID 581065
5-(Difluoromethoxy)-1,3-dimethyl-1H-pyrazole
CID 17770018
5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 53907218
5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 56605347
3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 59739605
3-[(1,3-dimethyl-1H-pyrazol-5-yl)oxy]propan-1-amine
CID 81346017
3-((1,3-dimethyl-1H-pyrazol-5-yl)oxy)propan-1-amine dihydrochloride
CID 137943117
1-tert-butyl-5-methoxy-3-methyl-1H-pyrazole
CID 75454599
1-tert-butyl-5-difluoromethoxy-3-trifluoromethyl-1H-pyrazole
CID 11608577
5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12086302
3-methoxy-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 17862856
1-tert-butyl-5-methoxy-3-trifluoromethyl-1H-pyrazole
CID 17862917

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 178139815) is 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride is COc1cc(C(F)(F)F)nn1CC(C)(C)N.Cl.
What is the InChIKey of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is MVVSCUWVTKDSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O.ClH/c1-8(2,13)5-15-7(16-3)4-6(14-15)9(10,11)12;/h4H,5,13H2,1-3H3;1H.
What are the key properties of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 273.69 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 178139815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).