1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol

C18H19FN4O — CID 86808933

IUPAC1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
SMILESCn1cc(CNCC(O)c2ccccc2F)c(-c2ccncc2)n1
InChIInChI=1S/C18H19FN4O/c1-23-12-14(18(22-23)13-6-8-20-9-7-13)10-21-11-17(24)15-4-2-3-5-16(15)19/h2-9,12,17,21,24H,10-11H2,1H3
InChIKeyGACSLBAXQNYUTF-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.44
Rot. Bonds6

About 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol

1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol (PubChem CID 86808933) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
PubChem CID86808933
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
SMILESCn1cc(CNCC(O)c2ccccc2F)c(-c2ccncc2)n1
InChIInChI=1S/C18H19FN4O/c1-23-12-14(18(22-23)13-6-8-20-9-7-13)10-21-11-17(24)15-4-2-3-5-16(15)19/h2-9,12,17,21,24H,10-11H2,1H3
InChIKeyGACSLBAXQNYUTF-UHFFFAOYSA-N
XLogP2.44
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol (CID 86808933) is 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol is Cn1cc(CNCC(O)c2ccccc2F)c(-c2ccncc2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is GACSLBAXQNYUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-23-12-14(18(22-23)13-6-8-20-9-7-13)10-21-11-17(24)15-4-2-3-5-16(15)19/h2-9,12,17,21,24H,10-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 326.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 86808933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).