N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine

C13H14F3N3O — CID 60707327

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCn1cc(CNCc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O/c1-19-9-11(8-18-19)7-17-6-10-2-4-12(5-3-10)20-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3
InChIKeyVIIMEMGKHRAQRR-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.61
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine

N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 60707327) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID60707327
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCn1cc(CNCc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O/c1-19-9-11(8-18-19)7-17-6-10-2-4-12(5-3-10)20-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3
InChIKeyVIIMEMGKHRAQRR-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133488581
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
2-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 60707327) is N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is Cn1cc(CNCc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is VIIMEMGKHRAQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-9-11(8-18-19)7-17-6-10-2-4-12(5-3-10)20-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 285.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 60707327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).