2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol

C15H20N2O2 — CID 82869084

IUPAC2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)Cc2ccn(C)n2)c1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-14-6-4-5-12(9-14)15(18)10-13-7-8-17(3)16-13/h4-9,11,15,18H,10H2,1-3H3
InChIKeyATWAWGNILOOFBA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds5

About 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol

2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 82869084) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID82869084
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)Cc2ccn(C)n2)c1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-14-6-4-5-12(9-14)15(18)10-13-7-8-17(3)16-13/h4-9,11,15,18H,10H2,1-3H3
InChIKeyATWAWGNILOOFBA-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82868986
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329486
[(1-methylpyrazol-3-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105228760
2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 65145651
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82868688
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 102927565
(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772954

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol (CID 82869084) is 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(O)Cc2ccn(C)n2)c1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is ATWAWGNILOOFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)19-14-6-4-5-12(9-14)15(18)10-13-7-8-17(3)16-13/h4-9,11,15,18H,10H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 260.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 82869084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).