2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one

C10H11N3O — CID 106515895

IUPAC2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one
SMILESCCn1cc(-c2cc(=O)cc[nH]2)cn1
InChIInChI=1S/C10H11N3O/c1-2-13-7-8(6-12-13)10-5-9(14)3-4-11-10/h3-7H,2H2,1H3,(H,11,14)
InChIKeyHANGBCROAZDMNO-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.26
Rot. Bonds2

About 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one

2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one (PubChem CID 106515895) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one
PubChem CID106515895
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one
SMILESCCn1cc(-c2cc(=O)cc[nH]2)cn1
InChIInChI=1S/C10H11N3O/c1-2-13-7-8(6-12-13)10-5-9(14)3-4-11-10/h3-7H,2H2,1H3,(H,11,14)
InChIKeyHANGBCROAZDMNO-UHFFFAOYSA-N
XLogP1.26
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one 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 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one (CID 106515895) is 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one is CCn1cc(-c2cc(=O)cc[nH]2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one?
The InChIKey is HANGBCROAZDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-13-7-8(6-12-13)10-5-9(14)3-4-11-10/h3-7H,2H2,1H3,(H,11,14).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one?
2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one has a molecular weight of 189.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1H-pyridin-4-one is sourced from PubChem (CID 106515895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).