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

C6H9ClF3N3 — CID 90482944

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)cc1CN
InChIInChI=1S/C6H8F3N3.ClH/c1-12-4(3-10)2-5(11-12)6(7,8)9;/h2H,3,10H2,1H3;1H
InChIKeyATHUYAQLMRFLLE-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.32
Rot. Bonds1

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

[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride (PubChem CID 90482944) has the molecular formula C6H9ClF3N3 and a molecular weight of 215.61 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
PubChem CID90482944
Molecular FormulaC6H9ClF3N3
Molecular Weight215.61 g/mol
Exact Mass215.04
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)cc1CN
InChIInChI=1S/C6H8F3N3.ClH/c1-12-4(3-10)2-5(11-12)6(7,8)9;/h2H,3,10H2,1H3;1H
InChIKeyATHUYAQLMRFLLE-UHFFFAOYSA-N
XLogP1.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1-methyl-3-((methylamino)methyl)-1h-pyrazole-5-carbonitrile hydrochloride salt
CID 138106110
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 54592912
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 3160221
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-amine
CID 16640649

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride (CID 90482944) is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride is Cl.Cn1nc(C(F)(F)F)cc1CN.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The InChIKey is ATHUYAQLMRFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3.ClH/c1-12-4(3-10)2-5(11-12)6(7,8)9;/h2H,3,10H2,1H3;1H.
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride has a molecular weight of 215.61 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 90482944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).