3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide

C11H18N6O — CID 137049932

IUPAC3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C(C)(C)CN)c12
InChIInChI=1S/C11H18N6O/c1-6-7-8(13-10(18)11(2,3)5-12)14-15-9(7)17(4)16-6/h5,12H2,1-4H3,(H2,13,14,15,18)
InChIKeyOZTGQLPERARBCF-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.53
Rot. Bonds3

About 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide

3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide (PubChem CID 137049932) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
PubChem CID137049932
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C(C)(C)CN)c12
InChIInChI=1S/C11H18N6O/c1-6-7-8(13-10(18)11(2,3)5-12)14-15-9(7)17(4)16-6/h5,12H2,1-4H3,(H2,13,14,15,18)
InChIKeyOZTGQLPERARBCF-UHFFFAOYSA-N
XLogP0.53
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide (CID 137049932) is 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide is Cc1nn(C)c2n[nH]c(NC(=O)C(C)(C)CN)c12.
What is the InChIKey of 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
The InChIKey is OZTGQLPERARBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-6-7-8(13-10(18)11(2,3)5-12)14-15-9(7)17(4)16-6/h5,12H2,1-4H3,(H2,13,14,15,18).
What are the key properties of 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide has a molecular weight of 250.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 137049932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).