2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol

C12H15N3O2 — CID 86587981

IUPAC2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol
SMILESCOc1ccc(-n2ccc(NCCO)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-4-2-10(3-5-11)15-8-6-12(14-15)13-7-9-16/h2-6,8,16H,7,9H2,1H3,(H,13,14)
InChIKeyNRGSLQJMACYNDP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.29
Rot. Bonds5

About 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol

2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol (PubChem CID 86587981) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol
PubChem CID86587981
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol
SMILESCOc1ccc(-n2ccc(NCCO)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-4-2-10(3-5-11)15-8-6-12(14-15)13-7-9-16/h2-6,8,16H,7,9H2,1H3,(H,13,14)
InChIKeyNRGSLQJMACYNDP-UHFFFAOYSA-N
XLogP1.29
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol?
The IUPAC name of 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol (CID 86587981) is 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol is COc1ccc(-n2ccc(NCCO)n2)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol?
The InChIKey is NRGSLQJMACYNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11-4-2-10(3-5-11)15-8-6-12(14-15)13-7-9-16/h2-6,8,16H,7,9H2,1H3,(H,13,14).
What are the key properties of 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol?
2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol has a molecular weight of 233.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol is sourced from PubChem (CID 86587981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).