5-benzyl-1,4-dimethylpyrazole

C12H14N2 — CID 126758584

IUPAC5-benzyl-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1Cc1ccccc1
InChIInChI=1S/C12H14N2/c1-10-9-13-14(2)12(10)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyZZDPJADAMCXMJY-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.32
Rot. Bonds2

About 5-benzyl-1,4-dimethylpyrazole

5-benzyl-1,4-dimethylpyrazole (PubChem CID 126758584) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-benzyl-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-benzyl-1,4-dimethylpyrazole
PubChem CID126758584
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-benzyl-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1Cc1ccccc1
InChIInChI=1S/C12H14N2/c1-10-9-13-14(2)12(10)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyZZDPJADAMCXMJY-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 5-benzyl-1,4-dimethylpyrazole?
The IUPAC name of 5-benzyl-1,4-dimethylpyrazole (CID 126758584) is 5-benzyl-1,4-dimethylpyrazole.
What is the SMILES notation for 5-benzyl-1,4-dimethylpyrazole?
The canonical SMILES for 5-benzyl-1,4-dimethylpyrazole is Cc1cnn(C)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1,4-dimethylpyrazole?
The InChIKey is ZZDPJADAMCXMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-9-13-14(2)12(10)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-benzyl-1,4-dimethylpyrazole?
5-benzyl-1,4-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 5-benzyl-1,4-dimethylpyrazole is sourced from PubChem (CID 126758584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).