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

C11H12N2 — CID 4319070

IUPAC1-methyl-4-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C11H12N2/c1-9-3-5-10(6-4-9)11-7-12-13(2)8-11/h3-8H,1-2H3
InChIKeyBTKNUQFTTRAZPU-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.40
Rot. Bonds1

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

1-methyl-4-(4-methylphenyl)pyrazole (PubChem CID 4319070) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)pyrazole
PubChem CID4319070
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-methyl-4-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C11H12N2/c1-9-3-5-10(6-4-9)11-7-12-13(2)8-11/h3-8H,1-2H3
InChIKeyBTKNUQFTTRAZPU-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)pyrazole?
The IUPAC name of 1-methyl-4-(4-methylphenyl)pyrazole (CID 4319070) is 1-methyl-4-(4-methylphenyl)pyrazole.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)pyrazole?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)pyrazole is Cc1ccc(-c2cnn(C)c2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)pyrazole?
The InChIKey is BTKNUQFTTRAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-3-5-10(6-4-9)11-7-12-13(2)8-11/h3-8H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)pyrazole?
1-methyl-4-(4-methylphenyl)pyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)pyrazole is sourced from PubChem (CID 4319070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).