N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide

C10H13N6O2+ — CID 143676463

IUPACN-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
SMILESCC1=CC(NC(=O)C(=O)Nc2cc(C)[nH]n2)=N[NH2+]1
InChIInChI=1S/C10H12N6O2/c1-5-3-7(15-13-5)11-9(17)10(18)12-8-4-6(2)14-16-8/h3-4H,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18)/p+1
InChIKeyOVTADAQXCBZSAJ-UHFFFAOYSA-O
MW249.25 g/mol
LogP-1.43
Rot. Bonds1

About N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide

N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide (PubChem CID 143676463) has the molecular formula C10H13N6O2+ and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
PubChem CID143676463
Molecular FormulaC10H13N6O2+
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC NameN-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
SMILESCC1=CC(NC(=O)C(=O)Nc2cc(C)[nH]n2)=N[NH2+]1
InChIInChI=1S/C10H12N6O2/c1-5-3-7(15-13-5)11-9(17)10(18)12-8-4-6(2)14-16-8/h3-4H,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18)/p+1
InChIKeyOVTADAQXCBZSAJ-UHFFFAOYSA-O
XLogP-1.43
TPSA115.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide (CID 143676463) is N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide is CC1=CC(NC(=O)C(=O)Nc2cc(C)[nH]n2)=N[NH2+]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
The InChIKey is OVTADAQXCBZSAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N6O2/c1-5-3-7(15-13-5)11-9(17)10(18)12-8-4-6(2)14-16-8/h3-4H,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18)/p+1.
What are the key properties of N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide has a molecular weight of 249.25 g/mol, XLogP of -1.43, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-1-ium-3-yl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide is sourced from PubChem (CID 143676463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).