N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide

C15H18N6O2 — CID 166212644

IUPACN'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide
SMILESCn1nc(NC(=O)C(=O)NCCc2cnccn2)cc1C1CC1
InChIInChI=1S/C15H18N6O2/c1-21-12(10-2-3-10)8-13(20-21)19-15(23)14(22)18-5-4-11-9-16-6-7-17-11/h6-10H,2-5H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyOMPVBSXNZCWEBG-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.38
Rot. Bonds5

About N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide

N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide (PubChem CID 166212644) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide
PubChem CID166212644
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide
SMILESCn1nc(NC(=O)C(=O)NCCc2cnccn2)cc1C1CC1
InChIInChI=1S/C15H18N6O2/c1-21-12(10-2-3-10)8-13(20-21)19-15(23)14(22)18-5-4-11-9-16-6-7-17-11/h6-10H,2-5H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyOMPVBSXNZCWEBG-UHFFFAOYSA-N
XLogP0.38
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide?
The IUPAC name of N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide (CID 166212644) is N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide.
What is the SMILES notation for N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide?
The canonical SMILES for N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide is Cn1nc(NC(=O)C(=O)NCCc2cnccn2)cc1C1CC1.
What is the InChIKey of N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide?
The InChIKey is OMPVBSXNZCWEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-21-12(10-2-3-10)8-13(20-21)19-15(23)14(22)18-5-4-11-9-16-6-7-17-11/h6-10H,2-5H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide?
N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide has a molecular weight of 314.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide is sourced from PubChem (CID 166212644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).