4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole

C13H16N2O — CID 50984185

IUPAC4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
SMILESCOc1ccc(-c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C13H16N2O/c1-8-7-11(16-4)5-6-12(8)13-9(2)14-15-10(13)3/h5-7H,1-4H3,(H,14,15)
InChIKeyJGFQFPDLUZKFFE-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.01
Rot. Bonds2

About 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole

4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 50984185) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
PubChem CID50984185
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
SMILESCOc1ccc(-c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C13H16N2O/c1-8-7-11(16-4)5-6-12(8)13-9(2)14-15-10(13)3/h5-7H,1-4H3,(H,14,15)
InChIKeyJGFQFPDLUZKFFE-UHFFFAOYSA-N
XLogP3.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole (CID 50984185) is 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole is COc1ccc(-c2c(C)n[nH]c2C)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is JGFQFPDLUZKFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-7-11(16-4)5-6-12(8)13-9(2)14-15-10(13)3/h5-7H,1-4H3,(H,14,15).
What are the key properties of 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole?
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 216.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 50984185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).