1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine

C13H15F2N3 — CID 79522417

IUPAC1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(CC(N)c2c(F)cccc2F)n(C)n1
InChIInChI=1S/C13H15F2N3/c1-8-6-9(18(2)17-8)7-12(16)13-10(14)4-3-5-11(13)15/h3-6,12H,7,16H2,1-2H3
InChIKeyVAABFCWBFSKXPH-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine

1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 79522417) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID79522417
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(CC(N)c2c(F)cccc2F)n(C)n1
InChIInChI=1S/C13H15F2N3/c1-8-6-9(18(2)17-8)7-12(16)13-10(14)4-3-5-11(13)15/h3-6,12H,7,16H2,1-2H3
InChIKeyVAABFCWBFSKXPH-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 104996061
[2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252504
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 107538733
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
CID 104996017
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
CID 66614304
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848714
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine (CID 79522417) is 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine is Cc1cc(CC(N)c2c(F)cccc2F)n(C)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is VAABFCWBFSKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-6-9(18(2)17-8)7-12(16)13-10(14)4-3-5-11(13)15/h3-6,12H,7,16H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 79522417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).