2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol

C15H20N2O3 — CID 141134073

IUPAC2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccn(-c2cccc(OCCO)c2)n1
InChIInChI=1S/C15H20N2O3/c1-15(2,11-19)14-6-7-17(16-14)12-4-3-5-13(10-12)20-9-8-18/h3-7,10,18-19H,8-9,11H2,1-2H3
InChIKeyVHRCEXPRZHZUFA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol

2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol (PubChem CID 141134073) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
PubChem CID141134073
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccn(-c2cccc(OCCO)c2)n1
InChIInChI=1S/C15H20N2O3/c1-15(2,11-19)14-6-7-17(16-14)12-4-3-5-13(10-12)20-9-8-18/h3-7,10,18-19H,8-9,11H2,1-2H3
InChIKeyVHRCEXPRZHZUFA-UHFFFAOYSA-N
XLogP1.51
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol
CID 141421970
2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
CID 141366787
2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
CID 141366811
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
CID 141134717
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
1-[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea
CID 59151897
[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
CID 146511965
3-[3-(3-amino-1,2,4-triazol-1-yl)phenoxy]propyl N-tert-butylcarbamate
CID 140550122
2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one
CID 131886449
2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine
CID 96687338
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
CID 142063366

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol (CID 141134073) is 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol is CC(C)(CO)c1ccn(-c2cccc(OCCO)c2)n1.
What is the InChIKey of 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol?
The InChIKey is VHRCEXPRZHZUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,11-19)14-6-7-17(16-14)12-4-3-5-13(10-12)20-9-8-18/h3-7,10,18-19H,8-9,11H2,1-2H3.
What are the key properties of 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol?
2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 141134073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).