5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole

C19H20N2 — CID 71416942

IUPAC5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-c2cc(C)n(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H20N2/c1-13-10-14(2)19(15(3)11-13)18-12-16(4)21(20-18)17-8-6-5-7-9-17/h5-12H,1-4H3
InChIKeyCMXCJXVUWCNYIL-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.77
Rot. Bonds2

About 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole

5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole (PubChem CID 71416942) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
PubChem CID71416942
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-c2cc(C)n(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H20N2/c1-13-10-14(2)19(15(3)11-13)18-12-16(4)21(20-18)17-8-6-5-7-9-17/h5-12H,1-4H3
InChIKeyCMXCJXVUWCNYIL-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole?
The IUPAC name of 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole (CID 71416942) is 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole.
What is the SMILES notation for 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole?
The canonical SMILES for 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole is Cc1cc(C)c(-c2cc(C)n(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole?
The InChIKey is CMXCJXVUWCNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-10-14(2)19(15(3)11-13)18-12-16(4)21(20-18)17-8-6-5-7-9-17/h5-12H,1-4H3.
What are the key properties of 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole?
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole has a molecular weight of 276.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole is sourced from PubChem (CID 71416942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).