1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

C13H13F4N3 — CID 107291694

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1ccnn1C
InChIInChI=1S/C13H13F4N3/c1-18-12(11-5-6-19-20(11)2)8-3-4-9(10(14)7-8)13(15,16)17/h3-7,12,18H,1-2H3
InChIKeyHLROVSJKOZSCBA-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.89
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 107291694) has the molecular formula C13H13F4N3 and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID107291694
Molecular FormulaC13H13F4N3
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1ccnn1C
InChIInChI=1S/C13H13F4N3/c1-18-12(11-5-6-19-20(11)2)8-3-4-9(10(14)7-8)13(15,16)17/h3-7,12,18H,1-2H3
InChIKeyHLROVSJKOZSCBA-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291427
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962023
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858560
1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291435
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483
1-(4-ethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962866
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
CID 107291463
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858716
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (CID 107291694) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is CNC(c1ccc(C(F)(F)F)c(F)c1)c1ccnn1C.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is HLROVSJKOZSCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3/c1-18-12(11-5-6-19-20(11)2)8-3-4-9(10(14)7-8)13(15,16)17/h3-7,12,18H,1-2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 287.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107291694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).