5-(2,4-dimethylphenyl)-1-methylpyrazole

C12H14N2 — CID 91605877

IUPAC5-(2,4-dimethylphenyl)-1-methylpyrazole
SMILESCc1ccc(-c2ccnn2C)c(C)c1
InChIInChI=1S/C12H14N2/c1-9-4-5-11(10(2)8-9)12-6-7-13-14(12)3/h4-8H,1-3H3
InChIKeyZZSGHCJJNBPOSE-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.70
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-1-methylpyrazole

5-(2,4-dimethylphenyl)-1-methylpyrazole (PubChem CID 91605877) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1-methylpyrazole
PubChem CID91605877
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-(2,4-dimethylphenyl)-1-methylpyrazole
SMILESCc1ccc(-c2ccnn2C)c(C)c1
InChIInChI=1S/C12H14N2/c1-9-4-5-11(10(2)8-9)12-6-7-13-14(12)3/h4-8H,1-3H3
InChIKeyZZSGHCJJNBPOSE-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrazole?
The IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrazole (CID 91605877) is 5-(2,4-dimethylphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1-methylpyrazole?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1-methylpyrazole is Cc1ccc(-c2ccnn2C)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1-methylpyrazole?
The InChIKey is ZZSGHCJJNBPOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-5-11(10(2)8-9)12-6-7-13-14(12)3/h4-8H,1-3H3.
What are the key properties of 5-(2,4-dimethylphenyl)-1-methylpyrazole?
5-(2,4-dimethylphenyl)-1-methylpyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1-methylpyrazole is sourced from PubChem (CID 91605877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).