1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

C15H19F2N3O — CID 110913203

IUPAC1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCCN(Cc1cnn(C)c1)CC(O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2N3O/c1-3-20(9-11-7-18-19(2)8-11)10-14(21)15-12(16)5-4-6-13(15)17/h4-8,14,21H,3,9-10H2,1-2H3
InChIKeyALMIFYSFUPFJJB-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.25
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (PubChem CID 110913203) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
PubChem CID110913203
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCCN(Cc1cnn(C)c1)CC(O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2N3O/c1-3-20(9-11-7-18-19(2)8-11)10-14(21)15-12(16)5-4-6-13(15)17/h4-8,14,21H,3,9-10H2,1-2H3
InChIKeyALMIFYSFUPFJJB-UHFFFAOYSA-N
XLogP2.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine
CID 77084279
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
(3R)-1-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 95904200
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77096435
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 107485701
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (CID 110913203) is 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is CCN(Cc1cnn(C)c1)CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is ALMIFYSFUPFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-20(9-11-7-18-19(2)8-11)10-14(21)15-12(16)5-4-6-13(15)17/h4-8,14,21H,3,9-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 295.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 110913203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).