1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

C13H14F3N3O — CID 105047124

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C13H14F3N3O/c1-17-12(13-10(20-3)6-18-19(13)2)11-8(15)4-7(14)5-9(11)16/h4-6,12,17H,1-3H3
InChIKeySDFKAXVFJSDOIG-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 105047124) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID105047124
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C13H14F3N3O/c1-17-12(13-10(20-3)6-18-19(13)2)11-8(15)4-7(14)5-9(11)16/h4-6,12,17H,1-3H3
InChIKeySDFKAXVFJSDOIG-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105046994
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046950
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105186368
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
N-[(3-bromo-5-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114656391
N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114651637

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (CID 105047124) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is CNC(c1c(F)cc(F)cc1F)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is SDFKAXVFJSDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-17-12(13-10(20-3)6-18-19(13)2)11-8(15)4-7(14)5-9(11)16/h4-6,12,17H,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 285.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 105047124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).