6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one

C9H13N3O — CID 135741967

IUPAC6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one
SMILESCC(C)(C)c1cc2n(n1)CC(=O)N2
InChIInChI=1S/C9H13N3O/c1-9(2,3)6-4-7-10-8(13)5-12(7)11-6/h4H,5H2,1-3H3,(H,10,13)
InChIKeyUFMRZZGKHQAVOV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.13
Rot. Bonds

About 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one

6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one (PubChem CID 135741967) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one.

Molecular Properties

Compound Name6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one
PubChem CID135741967
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one
SMILESCC(C)(C)c1cc2n(n1)CC(=O)N2
InChIInChI=1S/C9H13N3O/c1-9(2,3)6-4-7-10-8(13)5-12(7)11-6/h4H,5H2,1-3H3,(H,10,13)
InChIKeyUFMRZZGKHQAVOV-UHFFFAOYSA-N
XLogP1.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-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

Related Compounds

N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361550
1-Butyl-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 2811754
6-tert-butyl-1H,2H,3H-pyrazolo(1,5-a)imidazole
CID 136227103
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45795795
1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361546
N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)acetamide
CID 6489269
N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide
CID 89327754
6-methyl-1H,2H,3H-pyrazolo(1,5-a)imidazol-2-one
CID 138006181
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796011
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796439
N-(3-cyclopentyl-1-methylpyrazol-5-yl)acetamide
CID 134797604
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 134798623

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one?
The IUPAC name of 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one (CID 135741967) is 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one.
What is the SMILES notation for 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one?
The canonical SMILES for 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one is CC(C)(C)c1cc2n(n1)CC(=O)N2.
What is the InChIKey of 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one?
The InChIKey is UFMRZZGKHQAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2,3)6-4-7-10-8(13)5-12(7)11-6/h4H,5H2,1-3H3,(H,10,13).
What are the key properties of 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one?
6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-dihydroimidazo[2,1-e]pyrazol-2-one is sourced from PubChem (CID 135741967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).