3-benzyl-4-ethyl-1-methylpyrazole

C13H16N2 — CID 121277938

IUPAC3-benzyl-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1Cc1ccccc1
InChIInChI=1S/C13H16N2/c1-3-12-10-15(2)14-13(12)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyHHMOGPFYRYBCBZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.57
Rot. Bonds3

About 3-benzyl-4-ethyl-1-methylpyrazole

3-benzyl-4-ethyl-1-methylpyrazole (PubChem CID 121277938) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-benzyl-4-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-benzyl-4-ethyl-1-methylpyrazole
PubChem CID121277938
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name3-benzyl-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1Cc1ccccc1
InChIInChI=1S/C13H16N2/c1-3-12-10-15(2)14-13(12)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyHHMOGPFYRYBCBZ-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethyl-1-methylpyrazole?
The IUPAC name of 3-benzyl-4-ethyl-1-methylpyrazole (CID 121277938) is 3-benzyl-4-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-benzyl-4-ethyl-1-methylpyrazole?
The canonical SMILES for 3-benzyl-4-ethyl-1-methylpyrazole is CCc1cn(C)nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethyl-1-methylpyrazole?
The InChIKey is HHMOGPFYRYBCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-12-10-15(2)14-13(12)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 3-benzyl-4-ethyl-1-methylpyrazole?
3-benzyl-4-ethyl-1-methylpyrazole has a molecular weight of 200.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethyl-1-methylpyrazole is sourced from PubChem (CID 121277938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).