4-ethoxy-1H-pyrazole

C5H8N2O — CID 13484068

IUPAC4-ethoxy-1H-pyrazole
SMILESCCOc1cn[nH]c1
InChIInChI=1S/C5H8N2O/c1-2-8-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyBPRNZDDUXRNPLK-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.81
Rot. Bonds2

About 4-ethoxy-1H-pyrazole

4-ethoxy-1H-pyrazole (PubChem CID 13484068) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-ethoxy-1H-pyrazole.

Molecular Properties

Compound Name4-ethoxy-1H-pyrazole
PubChem CID13484068
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-ethoxy-1H-pyrazole
SMILESCCOc1cn[nH]c1
InChIInChI=1S/C5H8N2O/c1-2-8-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyBPRNZDDUXRNPLK-UHFFFAOYSA-N
XLogP0.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethoxy-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1H-pyrazole?
The IUPAC name of 4-ethoxy-1H-pyrazole (CID 13484068) is 4-ethoxy-1H-pyrazole.
What is the SMILES notation for 4-ethoxy-1H-pyrazole?
The canonical SMILES for 4-ethoxy-1H-pyrazole is CCOc1cn[nH]c1.
What is the InChIKey of 4-ethoxy-1H-pyrazole?
The InChIKey is BPRNZDDUXRNPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-8-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7).
What are the key properties of 4-ethoxy-1H-pyrazole?
4-ethoxy-1H-pyrazole has a molecular weight of 112.13 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1H-pyrazole is sourced from PubChem (CID 13484068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).