5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide

C10H15N5O6 — CID 46875991

About 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide

5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide (PubChem CID 46875991) has the molecular formula C10H15N5O6 and a molecular weight of 301.26 g/mol. Its IUPAC name is 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide.

Molecular Properties

• Compound Name: 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide
• PubChem CID: 46875991
• Molecular Formula: C10H15N5O6
• Molecular Weight: 301.26 g/mol
• Exact Mass: 301.10
• IUPAC Name: 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide
• SMILES: NC(=O)c1nn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)c1C(N)=O
• InChI: InChI=1S/C10H15N5O6/c11-7-3(8(12)19)4(9(13)20)14-15(7)10-6(18)5(17)2(1-16)21-10/h2,5-6,10,16-18H,1,11H2,(H2,12,19)(H2,13,20)/t2-,5-,6-,10?/m1/s1
• InChIKey: VCMOZFGRPZMVLX-APYXOOTNSA-N
• XLogP: -3.73
• TPSA: 199.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	301.26
LogP ≤ 5	-3.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide?

The IUPAC name of 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide (CID 46875991) is 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide.

What is the SMILES notation for 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide?

The canonical SMILES for 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide is NC(=O)c1nn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)c1C(N)=O.

What is the InChIKey of 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide?

The InChIKey is VCMOZFGRPZMVLX-APYXOOTNSA-N. The full InChI is InChI=1S/C10H15N5O6/c11-7-3(8(12)19)4(9(13)20)14-15(7)10-6(18)5(17)2(1-16)21-10/h2,5-6,10,16-18H,1,11H2,(H2,12,19)(H2,13,20)/t2-,5-,6-,10?/m1/s1.

What are the key properties of 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide?

5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide has a molecular weight of 301.26 g/mol, XLogP of -3.73, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 46875991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).