5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one

C12H19N5O — CID 79961779

IUPAC5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1c(C)nn(C)c1C
InChIInChI=1S/C12H19N5O/c1-5-6-17-10(11(13)14-12(17)18)9-7(2)15-16(4)8(9)3/h10H,5-6H2,1-4H3,(H2,13,14,18)
InChIKeyLHPHGTGSHQLYHX-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.28
Rot. Bonds3

About 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one

5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one (PubChem CID 79961779) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one
PubChem CID79961779
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1c(C)nn(C)c1C
InChIInChI=1S/C12H19N5O/c1-5-6-17-10(11(13)14-12(17)18)9-7(2)15-16(4)8(9)3/h10H,5-6H2,1-4H3,(H2,13,14,18)
InChIKeyLHPHGTGSHQLYHX-UHFFFAOYSA-N
XLogP1.28
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one (CID 79961779) is 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1c(C)nn(C)c1C.
What is the InChIKey of 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one?
The InChIKey is LHPHGTGSHQLYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-6-17-10(11(13)14-12(17)18)9-7(2)15-16(4)8(9)3/h10H,5-6H2,1-4H3,(H2,13,14,18).
What are the key properties of 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one?
5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one has a molecular weight of 249.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79961779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).