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

C10H12N6O2 — CID 10444683

IUPACN,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cc(C)[nH]n2)n[nH]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)
InChIKeyOVTADAQXCBZSAJ-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.33
Rot. Bonds2

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

N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide (PubChem CID 10444683) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide
PubChem CID10444683
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cc(C)[nH]n2)n[nH]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)
InChIKeyOVTADAQXCBZSAJ-UHFFFAOYSA-N
XLogP0.33
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide?
The IUPAC name of N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide (CID 10444683) is N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide.
What is the SMILES notation for N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide?
The canonical SMILES for N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)Nc2cc(C)[nH]n2)n[nH]1.
What is the InChIKey of N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide?
The InChIKey is OVTADAQXCBZSAJ-UHFFFAOYSA-N. 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).
What are the key properties of N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide?
N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide has a molecular weight of 248.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-methyl-1H-pyrazol-3-yl)oxamide is sourced from PubChem (CID 10444683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).