2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine

C15H19F2N3 — CID 102804672

IUPAC2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1cn(C)nc1C
InChIInChI=1S/C15H19F2N3/c1-4-18-15(14-9-20(3)19-10(14)2)7-11-5-12(16)8-13(17)6-11/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyGKLJNGAYDSGQEF-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.90
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine

2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine (PubChem CID 102804672) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
PubChem CID102804672
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1cn(C)nc1C
InChIInChI=1S/C15H19F2N3/c1-4-18-15(14-9-20(3)19-10(14)2)7-11-5-12(16)8-13(17)6-11/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyGKLJNGAYDSGQEF-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 102803029
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
N-[2-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803108
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
2-(3-bromo-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105169361
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
1-(1,3-dimethylpyrazol-4-yl)-N-ethylpent-4-yn-1-amine
CID 102803730
2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406857

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine (CID 102804672) is 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(F)c1)c1cn(C)nc1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
The InChIKey is GKLJNGAYDSGQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-18-15(14-9-20(3)19-10(14)2)7-11-5-12(16)8-13(17)6-11/h5-6,8-9,15,18H,4,7H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine has a molecular weight of 279.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine is sourced from PubChem (CID 102804672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).