N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine

C7H10F3N3 — CID 105446688

IUPACN-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
SMILESCNC(C)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H10F3N3/c1-4(11-2)5-3-6(13-12-5)7(8,9)10/h3-4,11H,1-2H3,(H,12,13)
InChIKeyMKSYAJKNFHOYKG-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.71
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine

N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 105446688) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID105446688
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
SMILESCNC(C)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H10F3N3/c1-4(11-2)5-3-6(13-12-5)7(8,9)10/h3-4,11H,1-2H3,(H,12,13)
InChIKeyMKSYAJKNFHOYKG-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine (CID 105446688) is N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine is CNC(C)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is MKSYAJKNFHOYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(11-2)5-3-6(13-12-5)7(8,9)10/h3-4,11H,1-2H3,(H,12,13).
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 193.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 105446688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).