2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol

C13H16N2O — CID 116817752

IUPAC2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
SMILESCc1ccccc1-n1cc(CCO)c(C)n1
InChIInChI=1S/C13H16N2O/c1-10-5-3-4-6-13(10)15-9-12(7-8-16)11(2)14-15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyKSLABTUIJAVCGZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.02
Rot. Bonds3

About 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol

2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol (PubChem CID 116817752) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
PubChem CID116817752
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
SMILESCc1ccccc1-n1cc(CCO)c(C)n1
InChIInChI=1S/C13H16N2O/c1-10-5-3-4-6-13(10)15-9-12(7-8-16)11(2)14-15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyKSLABTUIJAVCGZ-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol (CID 116817752) is 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol is Cc1ccccc1-n1cc(CCO)c(C)n1.
What is the InChIKey of 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol?
The InChIKey is KSLABTUIJAVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-5-3-4-6-13(10)15-9-12(7-8-16)11(2)14-15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol?
2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 116817752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).