4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole

C19H28N2 — CID 153415138

IUPAC4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole
SMILESCc1cc(C)cc(-c2c(C)nn(C(C)C)c2CC(C)C)c1
InChIInChI=1S/C19H28N2/c1-12(2)8-18-19(16(7)20-21(18)13(3)4)17-10-14(5)9-15(6)11-17/h9-13H,8H2,1-7H3
InChIKeyOFKXEMFFUSFMLA-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.25
Rot. Bonds4

About 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole

4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole (PubChem CID 153415138) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole
PubChem CID153415138
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole
SMILESCc1cc(C)cc(-c2c(C)nn(C(C)C)c2CC(C)C)c1
InChIInChI=1S/C19H28N2/c1-12(2)8-18-19(16(7)20-21(18)13(3)4)17-10-14(5)9-15(6)11-17/h9-13H,8H2,1-7H3
InChIKeyOFKXEMFFUSFMLA-UHFFFAOYSA-N
XLogP5.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole (CID 153415138) is 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole is Cc1cc(C)cc(-c2c(C)nn(C(C)C)c2CC(C)C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole?
The InChIKey is OFKXEMFFUSFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-12(2)8-18-19(16(7)20-21(18)13(3)4)17-10-14(5)9-15(6)11-17/h9-13H,8H2,1-7H3.
What are the key properties of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole?
4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole has a molecular weight of 284.45 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 153415138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).