1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine

C15H19F2N3 — CID 107522350

IUPAC1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCCc1c(C)nn(CC(N)c2cc(F)ccc2F)c1C
InChIInChI=1S/C15H19F2N3/c1-4-12-9(2)19-20(10(12)3)8-15(18)13-7-11(16)5-6-14(13)17/h5-7,15H,4,8,18H2,1-3H3
InChIKeyFPEIHXKFEUPTAL-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.04
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine

1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 107522350) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID107522350
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCCc1c(C)nn(CC(N)c2cc(F)ccc2F)c1C
InChIInChI=1S/C15H19F2N3/c1-4-12-9(2)19-20(10(12)3)8-15(18)13-7-11(16)5-6-14(13)17/h5-7,15H,4,8,18H2,1-3H3
InChIKeyFPEIHXKFEUPTAL-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
CID 107523246
1-[1-[(2,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 62729526
3-[2-amino-2-(2,5-difluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 107522329
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 107522557
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2,5-difluorophenyl)-2-pentylsulfanylethanamine
CID 107763082
1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105143859
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-fluorobenzenecarbothioamide
CID 61237223
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522884
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 55189262

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine (CID 107522350) is 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine is CCc1c(C)nn(CC(N)c2cc(F)ccc2F)c1C.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is FPEIHXKFEUPTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-12-9(2)19-20(10(12)3)8-15(18)13-7-11(16)5-6-14(13)17/h5-7,15H,4,8,18H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 279.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 107522350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).