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

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Related Compounds

5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
CID 83094848
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-4-(2,4-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79967737
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one
CID 104505449
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
CID 79968215
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79967736
5-amino-3-ethyl-4-(2-methylquinolin-6-yl)-4H-imidazol-2-one
CID 105379816

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).