2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol

C15H20N2O4S — CID 171934515

IUPAC2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol
SMILESCOc1ccc(-c2cnn(S(=O)(=O)C(C)C)c2)c(CCO)c1
InChIInChI=1S/C15H20N2O4S/c1-11(2)22(19,20)17-10-13(9-16-17)15-5-4-14(21-3)8-12(15)6-7-18/h4-5,8-11,18H,6-7H2,1-3H3
InChIKeyIVJNFBOBCKGBOY-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.68
Rot. Bonds6

About 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol

2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol (PubChem CID 171934515) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol
PubChem CID171934515
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol
SMILESCOc1ccc(-c2cnn(S(=O)(=O)C(C)C)c2)c(CCO)c1
InChIInChI=1S/C15H20N2O4S/c1-11(2)22(19,20)17-10-13(9-16-17)15-5-4-14(21-3)8-12(15)6-7-18/h4-5,8-11,18H,6-7H2,1-3H3
InChIKeyIVJNFBOBCKGBOY-UHFFFAOYSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol
CID 171934504
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2-(2-chloro-4-methoxyphenyl)ethanol
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2-(2-bromo-5-methoxyphenyl)ethanol
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2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
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2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331622
2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol
CID 114413752
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
CID 21258558
2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]acetic acid
CID 82121885
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
CID 115069112
4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole
CID 146150677

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol?
The IUPAC name of 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol (CID 171934515) is 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol.
What is the SMILES notation for 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol?
The canonical SMILES for 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol is COc1ccc(-c2cnn(S(=O)(=O)C(C)C)c2)c(CCO)c1.
What is the InChIKey of 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol?
The InChIKey is IVJNFBOBCKGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(2)22(19,20)17-10-13(9-16-17)15-5-4-14(21-3)8-12(15)6-7-18/h4-5,8-11,18H,6-7H2,1-3H3.
What are the key properties of 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol?
2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol has a molecular weight of 324.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol is sourced from PubChem (CID 171934515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).