2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide

C16H27N5O2 — CID 46228466

IUPAC2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide
SMILESCN(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C(C)(C)C)C2(C)C
InChIInChI=1S/C16H27N5O2/c1-15(2,3)14(23)21-8-10-12(16(21,4)5)18-19-13(10)17-11(22)9-20(6)7/h8-9H2,1-7H3,(H2,17,18,19,22)
InChIKeyZCNCKHAAOYENHC-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.53
Rot. Bonds3

About 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide

2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide (PubChem CID 46228466) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide
PubChem CID46228466
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide
SMILESCN(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C(C)(C)C)C2(C)C
InChIInChI=1S/C16H27N5O2/c1-15(2,3)14(23)21-8-10-12(16(21,4)5)18-19-13(10)17-11(22)9-20(6)7/h8-9H2,1-7H3,(H2,17,18,19,22)
InChIKeyZCNCKHAAOYENHC-UHFFFAOYSA-N
XLogP1.53
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide (CID 46228466) is 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide is CN(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C(C)(C)C)C2(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide?
The InChIKey is ZCNCKHAAOYENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-15(2,3)14(23)21-8-10-12(16(21,4)5)18-19-13(10)17-11(22)9-20(6)7/h8-9H2,1-7H3,(H2,17,18,19,22).
What are the key properties of 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide?
2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide is sourced from PubChem (CID 46228466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).