3-benzyl-1,5-dimethylpyrazole

C12H14N2 — CID 13225476

IUPAC3-benzyl-1,5-dimethylpyrazole
SMILESCc1cc(Cc2ccccc2)nn1C
InChIInChI=1S/C12H14N2/c1-10-8-12(13-14(10)2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyVWFWVBRGSXUYEB-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.32
Rot. Bonds2

About 3-benzyl-1,5-dimethylpyrazole

3-benzyl-1,5-dimethylpyrazole (PubChem CID 13225476) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-benzyl-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-benzyl-1,5-dimethylpyrazole
PubChem CID13225476
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-benzyl-1,5-dimethylpyrazole
SMILESCc1cc(Cc2ccccc2)nn1C
InChIInChI=1S/C12H14N2/c1-10-8-12(13-14(10)2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyVWFWVBRGSXUYEB-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,5-dimethylpyrazole?
The IUPAC name of 3-benzyl-1,5-dimethylpyrazole (CID 13225476) is 3-benzyl-1,5-dimethylpyrazole.
What is the SMILES notation for 3-benzyl-1,5-dimethylpyrazole?
The canonical SMILES for 3-benzyl-1,5-dimethylpyrazole is Cc1cc(Cc2ccccc2)nn1C.
What is the InChIKey of 3-benzyl-1,5-dimethylpyrazole?
The InChIKey is VWFWVBRGSXUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-8-12(13-14(10)2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 3-benzyl-1,5-dimethylpyrazole?
3-benzyl-1,5-dimethylpyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,5-dimethylpyrazole is sourced from PubChem (CID 13225476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).