1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol

C12H14FN3O — CID 79778873

IUPAC1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
SMILESCn1ccc(NCC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3O/c1-16-7-6-12(15-16)14-8-11(17)9-2-4-10(13)5-3-9/h2-7,11,17H,8H2,1H3,(H,14,15)
InChIKeyRHSGIYXPHMVWQF-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.70
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol

1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol (PubChem CID 79778873) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
PubChem CID79778873
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
SMILESCn1ccc(NCC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3O/c1-16-7-6-12(15-16)14-8-11(17)9-2-4-10(13)5-3-9/h2-7,11,17H,8H2,1H3,(H,14,15)
InChIKeyRHSGIYXPHMVWQF-UHFFFAOYSA-N
XLogP1.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol (CID 79778873) is 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol is Cn1ccc(NCC(O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The InChIKey is RHSGIYXPHMVWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16-7-6-12(15-16)14-8-11(17)9-2-4-10(13)5-3-9/h2-7,11,17H,8H2,1H3,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol has a molecular weight of 235.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol is sourced from PubChem (CID 79778873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).