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

C15H19ClN2O2 — CID 114633450

IUPAC1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C(C)C)c1C(C)(O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(2)18-14(13(20-4)9-17-18)15(3,19)11-7-5-6-8-12(11)16/h5-10,19H,1-4H3
InChIKeyZSOHAQOVYLLDOY-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.38
Rot. Bonds4

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

1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol (PubChem CID 114633450) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
PubChem CID114633450
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C(C)C)c1C(C)(O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(2)18-14(13(20-4)9-17-18)15(3,19)11-7-5-6-8-12(11)16/h5-10,19H,1-4H3
InChIKeyZSOHAQOVYLLDOY-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol
CID 114633409
4-[1-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]phenol
CID 114637997
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633338
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
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
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634463
3-hydroxy-3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butanal
CID 114636600
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639636
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 114633592

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol (CID 114633450) is 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol is COc1cnn(C(C)C)c1C(C)(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
The InChIKey is ZSOHAQOVYLLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)18-14(13(20-4)9-17-18)15(3,19)11-7-5-6-8-12(11)16/h5-10,19H,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol has a molecular weight of 294.78 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114633450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).