2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide

C15H24N6O — CID 137049990

IUPAC2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C3CCCCCCC3N)c12
InChIInChI=1S/C15H24N6O/c1-9-12-13(18-19-14(12)21(2)20-9)17-15(22)10-7-5-3-4-6-8-11(10)16/h10-11H,3-8,16H2,1-2H3,(H2,17,18,19,22)
InChIKeyGMMMQGXVYWYVGC-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.84
Rot. Bonds2

About 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide

2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide (PubChem CID 137049990) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide
PubChem CID137049990
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C3CCCCCCC3N)c12
InChIInChI=1S/C15H24N6O/c1-9-12-13(18-19-14(12)21(2)20-9)17-15(22)10-7-5-3-4-6-8-11(10)16/h10-11H,3-8,16H2,1-2H3,(H2,17,18,19,22)
InChIKeyGMMMQGXVYWYVGC-UHFFFAOYSA-N
XLogP1.84
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide?
The IUPAC name of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide (CID 137049990) is 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide is Cc1nn(C)c2n[nH]c(NC(=O)C3CCCCCCC3N)c12.
What is the InChIKey of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide?
The InChIKey is GMMMQGXVYWYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-9-12-13(18-19-14(12)21(2)20-9)17-15(22)10-7-5-3-4-6-8-11(10)16/h10-11H,3-8,16H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide?
2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide is sourced from PubChem (CID 137049990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).