2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride

C13H21ClN6O — CID 137169883

IUPAC2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride
SMILESCc1nn(C)c2n[nH]c(NC(=O)C[C@@H]3CCC[C@H]3N)c12.Cl
InChIInChI=1S/C13H20N6O.ClH/c1-7-11-12(16-17-13(11)19(2)18-7)15-10(20)6-8-4-3-5-9(8)14;/h8-9H,3-6,14H2,1-2H3,(H2,15,16,17,20);1H/t8-,9+;/m0./s1
InChIKeyDJECNXXQMGAXRL-OULXEKPRSA-N
MW312.81 g/mol
LogP1.48
Rot. Bonds3

About 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride

2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride (PubChem CID 137169883) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride
PubChem CID137169883
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride
SMILESCc1nn(C)c2n[nH]c(NC(=O)C[C@@H]3CCC[C@H]3N)c12.Cl
InChIInChI=1S/C13H20N6O.ClH/c1-7-11-12(16-17-13(11)19(2)18-7)15-10(20)6-8-4-3-5-9(8)14;/h8-9H,3-6,14H2,1-2H3,(H2,15,16,17,20);1H/t8-,9+;/m0./s1
InChIKeyDJECNXXQMGAXRL-OULXEKPRSA-N
XLogP1.48
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide
CID 137049990
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 136926147
(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 137104607
3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
CID 137049932
2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 137104610
(3aS,7aR)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxamide
CID 137064266
4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide
CID 137095499
cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 136759892
2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
CID 136898518
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 137095502
trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 136759889
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride (CID 137169883) is 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride is Cc1nn(C)c2n[nH]c(NC(=O)C[C@@H]3CCC[C@H]3N)c12.Cl.
What is the InChIKey of 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride?
The InChIKey is DJECNXXQMGAXRL-OULXEKPRSA-N. The full InChI is InChI=1S/C13H20N6O.ClH/c1-7-11-12(16-17-13(11)19(2)18-7)15-10(20)6-8-4-3-5-9(8)14;/h8-9H,3-6,14H2,1-2H3,(H2,15,16,17,20);1H/t8-,9+;/m0./s1.
What are the key properties of 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride?
2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride has a molecular weight of 312.81 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 137169883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).