4-benzyl-1,3,5-trimethylpyrazole

C13H16N2 — CID 579801

IUPAC4-benzyl-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1Cc1ccccc1
InChIInChI=1S/C13H16N2/c1-10-13(11(2)15(3)14-10)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyQYVBDODVVLOQNZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.63
Rot. Bonds2

About 4-benzyl-1,3,5-trimethylpyrazole

4-benzyl-1,3,5-trimethylpyrazole (PubChem CID 579801) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-benzyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-benzyl-1,3,5-trimethylpyrazole
PubChem CID579801
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-benzyl-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1Cc1ccccc1
InChIInChI=1S/C13H16N2/c1-10-13(11(2)15(3)14-10)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyQYVBDODVVLOQNZ-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,3,5-trimethylpyrazole?
The IUPAC name of 4-benzyl-1,3,5-trimethylpyrazole (CID 579801) is 4-benzyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-benzyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-benzyl-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1,3,5-trimethylpyrazole?
The InChIKey is QYVBDODVVLOQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-13(11(2)15(3)14-10)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3.
What are the key properties of 4-benzyl-1,3,5-trimethylpyrazole?
4-benzyl-1,3,5-trimethylpyrazole has a molecular weight of 200.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 579801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).