2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol

C17H24FN3O — CID 109479705

IUPAC2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESCCc1nn(C)c(CC)c1CNCC(O)c1ccccc1F
InChIInChI=1S/C17H24FN3O/c1-4-15-13(16(5-2)21(3)20-15)10-19-11-17(22)12-8-6-7-9-14(12)18/h6-9,17,19,22H,4-5,10-11H2,1-3H3
InChIKeyMKGWYXFWDHYADI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.51
Rot. Bonds7

About 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 109479705) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol
PubChem CID109479705
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESCCc1nn(C)c(CC)c1CNCC(O)c1ccccc1F
InChIInChI=1S/C17H24FN3O/c1-4-15-13(16(5-2)21(3)20-15)10-19-11-17(22)12-8-6-7-9-14(12)18/h6-9,17,19,22H,4-5,10-11H2,1-3H3
InChIKeyMKGWYXFWDHYADI-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol (CID 109479705) is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol is CCc1nn(C)c(CC)c1CNCC(O)c1ccccc1F.
What is the InChIKey of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is MKGWYXFWDHYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-4-15-13(16(5-2)21(3)20-15)10-19-11-17(22)12-8-6-7-9-14(12)18/h6-9,17,19,22H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol?
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 305.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 109479705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).