2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one

C11H17N5O — CID 83093819

IUPAC2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
SMILESCn1cc(C2N=C(N)NC2=O)c(C(C)(C)C)n1
InChIInChI=1S/C11H17N5O/c1-11(2,3)8-6(5-16(4)15-8)7-9(17)14-10(12)13-7/h5,7H,1-4H3,(H3,12,13,14,17)
InChIKeyVYUKJMHCRRDFSK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.20
Rot. Bonds1

About 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one

2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one (PubChem CID 83093819) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
PubChem CID83093819
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
SMILESCn1cc(C2N=C(N)NC2=O)c(C(C)(C)C)n1
InChIInChI=1S/C11H17N5O/c1-11(2,3)8-6(5-16(4)15-8)7-9(17)14-10(12)13-7/h5,7H,1-4H3,(H3,12,13,14,17)
InChIKeyVYUKJMHCRRDFSK-UHFFFAOYSA-N
XLogP0.20
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one (CID 83093819) is 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one is Cn1cc(C2N=C(N)NC2=O)c(C(C)(C)C)n1.
What is the InChIKey of 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is VYUKJMHCRRDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,3)8-6(5-16(4)15-8)7-9(17)14-10(12)13-7/h5,7H,1-4H3,(H3,12,13,14,17).
What are the key properties of 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one?
2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 235.29 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 83093819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).