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

C13H14F3N3 — CID 19618959

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCn1ccc(CNCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3/c1-19-6-5-12(18-19)9-17-8-10-3-2-4-11(7-10)13(14,15)16/h2-7,17H,8-9H2,1H3
InChIKeyUNJUZFPQMOARAO-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.73
Rot. Bonds4

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

N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 19618959) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID19618959
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCn1ccc(CNCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3/c1-19-6-5-12(18-19)9-17-8-10-3-2-4-11(7-10)13(14,15)16/h2-7,17H,8-9H2,1H3
InChIKeyUNJUZFPQMOARAO-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882472
3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 19627468
N-[(6-methyl-2-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60962305
N-[(3-methylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62998807
1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
CID 166246765
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935
N-[(3-propylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66133126
1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine
CID 143794091
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126
2-methylidene-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66045680
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 19618959) is N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is Cn1ccc(CNCc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UNJUZFPQMOARAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-19-6-5-12(18-19)9-17-8-10-3-2-4-11(7-10)13(14,15)16/h2-7,17H,8-9H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 19618959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).