N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine

C7H10F3N3 — CID 62729927

IUPACN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3/c1-11-2-6-3-12-13(4-6)5-7(8,9)10/h3-4,11H,2,5H2,1H3
InChIKeySLDJXJFESJJXLQ-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine

N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine (PubChem CID 62729927) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
PubChem CID62729927
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC NameN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3/c1-11-2-6-3-12-13(4-6)5-7(8,9)10/h3-4,11H,2,5H2,1H3
InChIKeySLDJXJFESJJXLQ-UHFFFAOYSA-N
XLogP1.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrazole
CID 136836
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-ethyl-4-ethynyl-1H-pyrazole
CID 22042601
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
3-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4715092
4-(chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 17854535
2-(4-Methyl-1H-pyrazol-1-yl)ethan-1-amine
CID 19616598
[(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)amine
CID 42281904
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine (CID 62729927) is N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine is CNCc1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
The InChIKey is SLDJXJFESJJXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-11-2-6-3-12-13(4-6)5-7(8,9)10/h3-4,11H,2,5H2,1H3.
What are the key properties of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 1.16, 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-4-yl]methanamine is sourced from PubChem (CID 62729927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).