1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine

C13H14F3N3O — CID 78920807

IUPAC1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCn1ccc(CNCc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H14F3N3O/c1-19-7-6-11(18-19)9-17-8-10-4-2-3-5-12(10)20-13(14,15)16/h2-7,17H,8-9H2,1H3
InChIKeyDHWYQOPMSRXWGT-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.61
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine

1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 78920807) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID78920807
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCn1ccc(CNCc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H14F3N3O/c1-19-7-6-11(18-19)9-17-8-10-4-2-3-5-12(10)20-13(14,15)16/h2-7,17H,8-9H2,1H3
InChIKeyDHWYQOPMSRXWGT-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

N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921714
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
2,2-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanenitrile
CID 104587087
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (CID 78920807) is 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is Cn1ccc(CNCc2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is DHWYQOPMSRXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-7-6-11(18-19)9-17-8-10-4-2-3-5-12(10)20-13(14,15)16/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]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 1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 78920807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).