4-ethyl-1H-pyrazole

C5H8N2 — CID 12933274

IUPAC4-ethyl-1H-pyrazole
SMILESCCc1cn[nH]c1
InChIInChI=1S/C5H8N2/c1-2-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyIHNXHUNMFYXQCG-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.97
Rot. Bonds1

About 4-ethyl-1H-pyrazole

4-ethyl-1H-pyrazole (PubChem CID 12933274) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-ethyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-1H-pyrazole
PubChem CID12933274
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name4-ethyl-1H-pyrazole
SMILESCCc1cn[nH]c1
InChIInChI=1S/C5H8N2/c1-2-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyIHNXHUNMFYXQCG-UHFFFAOYSA-N
XLogP0.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyrazole?
The IUPAC name of 4-ethyl-1H-pyrazole (CID 12933274) is 4-ethyl-1H-pyrazole.
What is the SMILES notation for 4-ethyl-1H-pyrazole?
The canonical SMILES for 4-ethyl-1H-pyrazole is CCc1cn[nH]c1.
What is the InChIKey of 4-ethyl-1H-pyrazole?
The InChIKey is IHNXHUNMFYXQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7).
What are the key properties of 4-ethyl-1H-pyrazole?
4-ethyl-1H-pyrazole has a molecular weight of 96.13 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrazole is sourced from PubChem (CID 12933274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).