N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride

C7H11ClF3N3 — CID 90486250

IUPACN-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
SMILESCNCc1cc(C(F)(F)F)nn1C.Cl
InChIInChI=1S/C7H10F3N3.ClH/c1-11-4-5-3-6(7(8,9)10)12-13(5)2;/h3,11H,4H2,1-2H3;1H
InChIKeyBXQAMCBQQLEINB-UHFFFAOYSA-N
MW229.63 g/mol
LogP1.58
Rot. Bonds2

About N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride

N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride (PubChem CID 90486250) has the molecular formula C7H11ClF3N3 and a molecular weight of 229.63 g/mol. Its IUPAC name is N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
PubChem CID90486250
Molecular FormulaC7H11ClF3N3
Molecular Weight229.63 g/mol
Exact Mass229.06
IUPAC NameN-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
SMILESCNCc1cc(C(F)(F)F)nn1C.Cl
InChIInChI=1S/C7H10F3N3.ClH/c1-11-4-5-3-6(7(8,9)10)12-13(5)2;/h3,11H,4H2,1-2H3;1H
InChIKeyBXQAMCBQQLEINB-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride (CID 90486250) is N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride is CNCc1cc(C(F)(F)F)nn1C.Cl.
What is the InChIKey of N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The InChIKey is BXQAMCBQQLEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3.ClH/c1-11-4-5-3-6(7(8,9)10)12-13(5)2;/h3,11H,4H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride has a molecular weight of 229.63 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 90486250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).