N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide

C10H17N5O3 — CID 114255301

IUPACN-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide
SMILESCOc1cc(CNC(=O)C(=O)NCCN)nn1C
InChIInChI=1S/C10H17N5O3/c1-15-8(18-2)5-7(14-15)6-13-10(17)9(16)12-4-3-11/h5H,3-4,6,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyOXHDAUJZCGYGNE-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.88
Rot. Bonds5

About N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide

N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide (PubChem CID 114255301) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide
PubChem CID114255301
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide
SMILESCOc1cc(CNC(=O)C(=O)NCCN)nn1C
InChIInChI=1S/C10H17N5O3/c1-15-8(18-2)5-7(14-15)6-13-10(17)9(16)12-4-3-11/h5H,3-4,6,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyOXHDAUJZCGYGNE-UHFFFAOYSA-N
XLogP-1.88
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
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'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide (CID 114255301) is N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide is COc1cc(CNC(=O)C(=O)NCCN)nn1C.
What is the InChIKey of N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide?
The InChIKey is OXHDAUJZCGYGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-15-8(18-2)5-7(14-15)6-13-10(17)9(16)12-4-3-11/h5H,3-4,6,11H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide?
N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide has a molecular weight of 255.28 g/mol, XLogP of -1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide is sourced from PubChem (CID 114255301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).