4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol

C13H16N2O — CID 137003737

IUPAC4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol
SMILESCc1cc(-c2cc(C)n(C)n2)c(C)cc1O
InChIInChI=1S/C13H16N2O/c1-8-6-13(16)9(2)5-11(8)12-7-10(3)15(4)14-12/h5-7,16H,1-4H3
InChIKeyTVAPLYKENXUVKX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.72
Rot. Bonds1

About 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol

4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol (PubChem CID 137003737) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol
PubChem CID137003737
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol
SMILESCc1cc(-c2cc(C)n(C)n2)c(C)cc1O
InChIInChI=1S/C13H16N2O/c1-8-6-13(16)9(2)5-11(8)12-7-10(3)15(4)14-12/h5-7,16H,1-4H3
InChIKeyTVAPLYKENXUVKX-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol?
The IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol (CID 137003737) is 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol?
The canonical SMILES for 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol is Cc1cc(-c2cc(C)n(C)n2)c(C)cc1O.
What is the InChIKey of 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol?
The InChIKey is TVAPLYKENXUVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-6-13(16)9(2)5-11(8)12-7-10(3)15(4)14-12/h5-7,16H,1-4H3.
What are the key properties of 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol?
4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol has a molecular weight of 216.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol is sourced from PubChem (CID 137003737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).