2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline

C13H14F3N3O — CID 19626168

IUPAC2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
SMILESCOc1ccccc1NCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C13H14F3N3O/c1-19-9(7-12(18-19)13(14,15)16)8-17-10-5-3-4-6-11(10)20-2/h3-7,17H,8H2,1-2H3
InChIKeyOJOIQZXMGULSLE-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.06
Rot. Bonds4

About 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline

2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline (PubChem CID 19626168) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
PubChem CID19626168
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
SMILESCOc1ccccc1NCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C13H14F3N3O/c1-19-9(7-12(18-19)13(14,15)16)8-17-10-5-3-4-6-11(10)20-2/h3-7,17H,8H2,1-2H3
InChIKeyOJOIQZXMGULSLE-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]phenyl]methanol
CID 138020728
1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126967785
7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]-2,3-dihydroisoindol-1-one
CID 138020712
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 2811926
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952
2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43757861
2-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]isoindole-1,3-dione
CID 138020713

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline?
The IUPAC name of 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline (CID 19626168) is 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline is COc1ccccc1NCc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline?
The InChIKey is OJOIQZXMGULSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-9(7-12(18-19)13(14,15)16)8-17-10-5-3-4-6-11(10)20-2/h3-7,17H,8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline?
2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline has a molecular weight of 285.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline is sourced from PubChem (CID 19626168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).