(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride

C12H19ClN6O2 — CID 137104607

About (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 137104607) has the molecular formula C12H19ClN6O2 and a molecular weight of 314.78 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
• PubChem CID: 137104607
• Molecular Formula: C12H19ClN6O2
• Molecular Weight: 314.78 g/mol
• Exact Mass: 314.13
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
• SMILES: Cc1nn(C)c2n[nH]c(NC(=O)[C@@H]3CC[C@H](CN)O3)c12.Cl
• InChI: InChI=1S/C12H18N6O2.ClH/c1-6-9-10(15-16-11(9)18(2)17-6)14-12(19)8-4-3-7(5-13)20-8;/h7-8H,3-5,13H2,1-2H3,(H2,14,15,16,19);1H/t7-,8+;/m1./s1
• InChIKey: VXMRQROLLLDDQB-WLYNEOFISA-N
• XLogP: 0.47
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.78
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride (CID 137104607) is (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride is Cc1nn(C)c2n[nH]c(NC(=O)[C@@H]3CC[C@H](CN)O3)c12.Cl.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?

The InChIKey is VXMRQROLLLDDQB-WLYNEOFISA-N. The full InChI is InChI=1S/C12H18N6O2.ClH/c1-6-9-10(15-16-11(9)18(2)17-6)14-12(19)8-4-3-7(5-13)20-8;/h7-8H,3-5,13H2,1-2H3,(H2,14,15,16,19);1H/t7-,8+;/m1./s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?

(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 314.78 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 137104607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).