1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol

C16H22N2O2 — CID 114633338

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
SMILESCOc1cnn(C(C)C)c1C(C)(O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-15(14(20-5)10-17-18)16(4,19)13-8-6-12(3)7-9-13/h6-11,19H,1-5H3
InChIKeyHGGYDFXZLBAMTP-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol (PubChem CID 114633338) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
PubChem CID114633338
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
SMILESCOc1cnn(C(C)C)c1C(C)(O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-15(14(20-5)10-17-18)16(4,19)13-8-6-12(3)7-9-13/h6-11,19H,1-5H3
InChIKeyHGGYDFXZLBAMTP-UHFFFAOYSA-N
XLogP3.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]phenol
CID 114637997
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633450
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
1-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633612
3-hydroxy-3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butanal
CID 114636600
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345
2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 114633592
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
CID 114633474
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol (CID 114633338) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol is COc1cnn(C(C)C)c1C(C)(O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol?
The InChIKey is HGGYDFXZLBAMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-15(14(20-5)10-17-18)16(4,19)13-8-6-12(3)7-9-13/h6-11,19H,1-5H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol has a molecular weight of 274.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 114633338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).