4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol

C12H14N2O — CID 136970221

IUPAC4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol
SMILESCc1cc(-c2nn(C)cc2C)ccc1O
InChIInChI=1S/C12H14N2O/c1-8-6-10(4-5-11(8)15)12-9(2)7-14(3)13-12/h4-7,15H,1-3H3
InChIKeyKVTALAQUMSJIDU-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.41
Rot. Bonds1

About 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol

4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol (PubChem CID 136970221) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol
PubChem CID136970221
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol
SMILESCc1cc(-c2nn(C)cc2C)ccc1O
InChIInChI=1S/C12H14N2O/c1-8-6-10(4-5-11(8)15)12-9(2)7-14(3)13-12/h4-7,15H,1-3H3
InChIKeyKVTALAQUMSJIDU-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol?
The IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol (CID 136970221) is 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol.
What is the SMILES notation for 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol?
The canonical SMILES for 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol is Cc1cc(-c2nn(C)cc2C)ccc1O.
What is the InChIKey of 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol?
The InChIKey is KVTALAQUMSJIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-6-10(4-5-11(8)15)12-9(2)7-14(3)13-12/h4-7,15H,1-3H3.
What are the key properties of 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol?
4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol has a molecular weight of 202.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol is sourced from PubChem (CID 136970221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).