3-ethoxypyrazole-3-carboxamide

C6H9N3O2 — CID 174963813

IUPAC3-ethoxypyrazole-3-carboxamide
SMILESCCOC1(C(N)=O)C=CN=N1
InChIInChI=1S/C6H9N3O2/c1-2-11-6(5(7)10)3-4-8-9-6/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyKKBFIKKMNIATCU-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.18
Rot. Bonds3

About 3-ethoxypyrazole-3-carboxamide

3-ethoxypyrazole-3-carboxamide (PubChem CID 174963813) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-ethoxypyrazole-3-carboxamide.

Molecular Properties

Compound Name3-ethoxypyrazole-3-carboxamide
PubChem CID174963813
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-ethoxypyrazole-3-carboxamide
SMILESCCOC1(C(N)=O)C=CN=N1
InChIInChI=1S/C6H9N3O2/c1-2-11-6(5(7)10)3-4-8-9-6/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyKKBFIKKMNIATCU-UHFFFAOYSA-N
XLogP0.18
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxypyrazole-3-carboxamide 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 3-ethoxypyrazole-3-carboxamide?
The IUPAC name of 3-ethoxypyrazole-3-carboxamide (CID 174963813) is 3-ethoxypyrazole-3-carboxamide.
What is the SMILES notation for 3-ethoxypyrazole-3-carboxamide?
The canonical SMILES for 3-ethoxypyrazole-3-carboxamide is CCOC1(C(N)=O)C=CN=N1.
What is the InChIKey of 3-ethoxypyrazole-3-carboxamide?
The InChIKey is KKBFIKKMNIATCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-11-6(5(7)10)3-4-8-9-6/h3-4H,2H2,1H3,(H2,7,10).
What are the key properties of 3-ethoxypyrazole-3-carboxamide?
3-ethoxypyrazole-3-carboxamide has a molecular weight of 155.16 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypyrazole-3-carboxamide is sourced from PubChem (CID 174963813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).