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

C15H19F2N3 — CID 102812752

IUPAC2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1ccc(F)c(F)c1)NC
InChIInChI=1S/C15H19F2N3/c1-4-14-11(9-20(3)19-14)15(18-2)8-10-5-6-12(16)13(17)7-10/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyQGOCXPHSGGMCJD-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.76
Rot. Bonds5

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

2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (PubChem CID 102812752) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
PubChem CID102812752
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(Cc1ccc(F)c(F)c1)NC
InChIInChI=1S/C15H19F2N3/c1-4-14-11(9-20(3)19-14)15(18-2)8-10-5-6-12(16)13(17)7-10/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyQGOCXPHSGGMCJD-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812659
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812202
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
2-(4-chloro-3-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 107883717
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812500
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (CID 102812752) is 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is CCc1nn(C)cc1C(Cc1ccc(F)c(F)c1)NC.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is QGOCXPHSGGMCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-14-11(9-20(3)19-14)15(18-2)8-10-5-6-12(16)13(17)7-10/h5-7,9,15,18H,4,8H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 279.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 102812752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).