1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol

C13H16N2O — CID 16640536

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1cc(C)n(-c2cccc(C(C)O)c2)n1
InChIInChI=1S/C13H16N2O/c1-9-7-10(2)15(14-9)13-6-4-5-12(8-13)11(3)16/h4-8,11,16H,1-3H3
InChIKeyCKVNMSGBDGFPNM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.54
Rot. Bonds2

About 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol

1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol (PubChem CID 16640536) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
PubChem CID16640536
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1cc(C)n(-c2cccc(C(C)O)c2)n1
InChIInChI=1S/C13H16N2O/c1-9-7-10(2)15(14-9)13-6-4-5-12(8-13)11(3)16/h4-8,11,16H,1-3H3
InChIKeyCKVNMSGBDGFPNM-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol (CID 16640536) is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol is Cc1cc(C)n(-c2cccc(C(C)O)c2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is CKVNMSGBDGFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-7-10(2)15(14-9)13-6-4-5-12(8-13)11(3)16/h4-8,11,16H,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 16640536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).