1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol

C18H19N3O — CID 109411937

IUPAC1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESCc1cc(C)cc(C(O)Cn2nccc2-c2ccncc2)c1
InChIInChI=1S/C18H19N3O/c1-13-9-14(2)11-16(10-13)18(22)12-21-17(5-8-20-21)15-3-6-19-7-4-15/h3-11,18,22H,12H2,1-2H3
InChIKeyKYPOPQHDSGKNKU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.30
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol

1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol (PubChem CID 109411937) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
PubChem CID109411937
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESCc1cc(C)cc(C(O)Cn2nccc2-c2ccncc2)c1
InChIInChI=1S/C18H19N3O/c1-13-9-14(2)11-16(10-13)18(22)12-21-17(5-8-20-21)15-3-6-19-7-4-15/h3-11,18,22H,12H2,1-2H3
InChIKeyKYPOPQHDSGKNKU-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol (CID 109411937) is 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol is Cc1cc(C)cc(C(O)Cn2nccc2-c2ccncc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
The InChIKey is KYPOPQHDSGKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-9-14(2)11-16(10-13)18(22)12-21-17(5-8-20-21)15-3-6-19-7-4-15/h3-11,18,22H,12H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol has a molecular weight of 293.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 109411937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).