4-methyl-1-(2-methylphenyl)pyrazole

C11H12N2 — CID 12902538

IUPAC4-methyl-1-(2-methylphenyl)pyrazole
SMILESCc1cnn(-c2ccccc2C)c1
InChIInChI=1S/C11H12N2/c1-9-7-12-13(8-9)11-6-4-3-5-10(11)2/h3-8H,1-2H3
InChIKeyABTWFFCETLKZHT-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.49
Rot. Bonds1

About 4-methyl-1-(2-methylphenyl)pyrazole

4-methyl-1-(2-methylphenyl)pyrazole (PubChem CID 12902538) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)pyrazole
PubChem CID12902538
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-methyl-1-(2-methylphenyl)pyrazole
SMILESCc1cnn(-c2ccccc2C)c1
InChIInChI=1S/C11H12N2/c1-9-7-12-13(8-9)11-6-4-3-5-10(11)2/h3-8H,1-2H3
InChIKeyABTWFFCETLKZHT-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)pyrazole?
The IUPAC name of 4-methyl-1-(2-methylphenyl)pyrazole (CID 12902538) is 4-methyl-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)pyrazole is Cc1cnn(-c2ccccc2C)c1.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)pyrazole?
The InChIKey is ABTWFFCETLKZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-7-12-13(8-9)11-6-4-3-5-10(11)2/h3-8H,1-2H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)pyrazole?
4-methyl-1-(2-methylphenyl)pyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 12902538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).