N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide

C10H16N6O2 — CID 165474686

IUPACN-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
SMILESNCCNC(=O)C(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C10H16N6O2/c11-2-4-13-9(17)10(18)15-8-1-3-14-16(8)7-5-12-6-7/h1,3,7,12H,2,4-6,11H2,(H,13,17)(H,15,18)
InChIKeyPVSPZTSPRSODQK-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.96
Rot. Bonds4

About N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide

N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide (PubChem CID 165474686) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
PubChem CID165474686
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC NameN-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
SMILESNCCNC(=O)C(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C10H16N6O2/c11-2-4-13-9(17)10(18)15-8-1-3-14-16(8)7-5-12-6-7/h1,3,7,12H,2,4-6,11H2,(H,13,17)(H,15,18)
InChIKeyPVSPZTSPRSODQK-UHFFFAOYSA-N
XLogP-1.96
TPSA114.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
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-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide (CID 165474686) is N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide is NCCNC(=O)C(=O)Nc1ccnn1C1CNC1.
What is the InChIKey of N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide?
The InChIKey is PVSPZTSPRSODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-2-4-13-9(17)10(18)15-8-1-3-14-16(8)7-5-12-6-7/h1,3,7,12H,2,4-6,11H2,(H,13,17)(H,15,18).
What are the key properties of N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide?
N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide has a molecular weight of 252.28 g/mol, XLogP of -1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 165474686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).