4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole

C16H22N2 — CID 59743762

IUPAC4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2c(CC(C)(C)C)cnn2C)cc1
InChIInChI=1S/C16H22N2/c1-12-6-8-13(9-7-12)15-14(10-16(2,3)4)11-17-18(15)5/h6-9,11H,10H2,1-5H3
InChIKeyKEJXKFGMKNNQML-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.98
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole

4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole (PubChem CID 59743762) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole
PubChem CID59743762
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2c(CC(C)(C)C)cnn2C)cc1
InChIInChI=1S/C16H22N2/c1-12-6-8-13(9-7-12)15-14(10-16(2,3)4)11-17-18(15)5/h6-9,11H,10H2,1-5H3
InChIKeyKEJXKFGMKNNQML-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole (CID 59743762) is 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole is Cc1ccc(-c2c(CC(C)(C)C)cnn2C)cc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole?
The InChIKey is KEJXKFGMKNNQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-6-8-13(9-7-12)15-14(10-16(2,3)4)11-17-18(15)5/h6-9,11H,10H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole?
4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole has a molecular weight of 242.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methyl-5-(4-methylphenyl)pyrazole is sourced from PubChem (CID 59743762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).