5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one

C10H15N5O — CID 83095040

IUPAC5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1cn(C)nc1C
InChIInChI=1S/C10H15N5O/c1-4-15-8(9(11)12-10(15)16)7-5-14(3)13-6(7)2/h5,8H,4H2,1-3H3,(H2,11,12,16)
InChIKeyXDSGVKGMZKLKJO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.58
Rot. Bonds2

About 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one

5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one (PubChem CID 83095040) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
PubChem CID83095040
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1cn(C)nc1C
InChIInChI=1S/C10H15N5O/c1-4-15-8(9(11)12-10(15)16)7-5-14(3)13-6(7)2/h5,8H,4H2,1-3H3,(H2,11,12,16)
InChIKeyXDSGVKGMZKLKJO-UHFFFAOYSA-N
XLogP0.58
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-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 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one (CID 83095040) is 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1cn(C)nc1C.
What is the InChIKey of 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one?
The InChIKey is XDSGVKGMZKLKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-4-15-8(9(11)12-10(15)16)7-5-14(3)13-6(7)2/h5,8H,4H2,1-3H3,(H2,11,12,16).
What are the key properties of 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one?
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one is sourced from PubChem (CID 83095040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).