N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride

C7H11ClF3N3 — CID 132770062

IUPACN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCNCc1ccn(CC(F)(F)F)n1.Cl
InChIInChI=1S/C7H10F3N3.ClH/c1-11-4-6-2-3-13(12-6)5-7(8,9)10;/h2-3,11H,4-5H2,1H3;1H
InChIKeyIBFVBCKSYOAFFL-UHFFFAOYSA-N
MW229.63 g/mol
LogP1.59
Rot. Bonds3

About N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride (PubChem CID 132770062) has the molecular formula C7H11ClF3N3 and a molecular weight of 229.63 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
PubChem CID132770062
Molecular FormulaC7H11ClF3N3
Molecular Weight229.63 g/mol
Exact Mass229.06
IUPAC NameN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCNCc1ccn(CC(F)(F)F)n1.Cl
InChIInChI=1S/C7H10F3N3.ClH/c1-11-4-6-2-3-13(12-6)5-7(8,9)10;/h2-3,11H,4-5H2,1H3;1H
InChIKeyIBFVBCKSYOAFFL-UHFFFAOYSA-N
XLogP1.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride (CID 132770062) is N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride is CNCc1ccn(CC(F)(F)F)n1.Cl.
What is the InChIKey of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The InChIKey is IBFVBCKSYOAFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3.ClH/c1-11-4-6-2-3-13(12-6)5-7(8,9)10;/h2-3,11H,4-5H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride has a molecular weight of 229.63 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 132770062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).