1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C17H24N2O2 — CID 105095079

IUPAC1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCCCOc1ccc(C(O)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H24N2O2/c1-5-10-21-15-8-6-14(7-9-15)17(20)11-16-12(2)18-19(4)13(16)3/h6-9,17,20H,5,10-11H2,1-4H3
InChIKeyMJECVXJHCHERDR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.10
Rot. Bonds6

About 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105095079) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105095079
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCCCOc1ccc(C(O)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H24N2O2/c1-5-10-21-15-8-6-14(7-9-15)17(20)11-16-12(2)18-19(4)13(16)3/h6-9,17,20H,5,10-11H2,1-4H3
InChIKeyMJECVXJHCHERDR-UHFFFAOYSA-N
XLogP3.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105080887
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898
4-(chloromethyl)-1,3-dimethyl-5-(4-propoxyphenoxy)pyrazole
CID 28971291
1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 43233364
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
(2-methylpyrazol-3-yl)-(4-propoxyphenyl)methanol
CID 63961553

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105095079) is 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is CCCOc1ccc(C(O)Cc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is MJECVXJHCHERDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-10-21-15-8-6-14(7-9-15)17(20)11-16-12(2)18-19(4)13(16)3/h6-9,17,20H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105095079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).