1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

C14H18FN3O — CID 105046892

IUPAC1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H18FN3O/c1-9-5-6-10(11(15)7-9)13(16-2)14-12(19-4)8-17-18(14)3/h5-8,13,16H,1-4H3
InChIKeyYOZJLGRECLOQFX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.19
Rot. Bonds4

About 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105046892) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105046892
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H18FN3O/c1-9-5-6-10(11(15)7-9)13(16-2)14-12(19-4)8-17-18(14)3/h5-8,13,16H,1-4H3
InChIKeyYOZJLGRECLOQFX-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 105046892) is 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1ccc(C)cc1F)c1c(OC)cnn1C.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is YOZJLGRECLOQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9-5-6-10(11(15)7-9)13(16-2)14-12(19-4)8-17-18(14)3/h5-8,13,16H,1-4H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105046892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).