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

C15H19ClN2O2 — CID 114642942

IUPAC2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C(C)C)c1C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)18-15(14(20-3)9-17-18)13(19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13,19H,8H2,1-3H3
InChIKeySKGVHSAWENLNDG-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.40
Rot. Bonds5

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

2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol (PubChem CID 114642942) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
PubChem CID114642942
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C(C)C)c1C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)18-15(14(20-3)9-17-18)13(19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13,19H,8H2,1-3H3
InChIKeySKGVHSAWENLNDG-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642980
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211346
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643601
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634463
2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114646649
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
CID 114642899
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol (CID 114642942) is 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol is COc1cnn(C(C)C)c1C(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
The InChIKey is SKGVHSAWENLNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)18-15(14(20-3)9-17-18)13(19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13,19H,8H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol?
2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol has a molecular weight of 294.78 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114642942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).