2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine

C14H17F2N3O — CID 105046903

IUPAC2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1c(OC)cnn1C
InChIInChI=1S/C14H17F2N3O/c1-17-11(14-12(20-3)8-18-19(14)2)7-9-5-4-6-10(15)13(9)16/h4-6,8,11,17H,7H2,1-3H3
InChIKeyUJEVRJSXUCHKDJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.21
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine

2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105046903) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID105046903
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1c(OC)cnn1C
InChIInChI=1S/C14H17F2N3O/c1-17-11(14-12(20-3)8-18-19(14)2)7-9-5-4-6-10(15)13(9)16/h4-6,8,11,17H,7H2,1-3H3
InChIKeyUJEVRJSXUCHKDJ-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine (CID 105046903) is 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine is CNC(Cc1cccc(F)c1F)c1c(OC)cnn1C.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is UJEVRJSXUCHKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-17-11(14-12(20-3)8-18-19(14)2)7-9-5-4-6-10(15)13(9)16/h4-6,8,11,17H,7H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105046903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).