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

C9H15N5O3 — CID 114255303

IUPACN-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCCN)nn1C
InChIInChI=1S/C9H15N5O3/c1-14-7(17-2)5-6(13-14)12-9(16)8(15)11-4-3-10/h5H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyRDLAXWSWRVUPFI-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.56
Rot. Bonds4

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

N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide (PubChem CID 114255303) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide
PubChem CID114255303
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCCN)nn1C
InChIInChI=1S/C9H15N5O3/c1-14-7(17-2)5-6(13-14)12-9(16)8(15)11-4-3-10/h5H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyRDLAXWSWRVUPFI-UHFFFAOYSA-N
XLogP-1.56
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.56
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)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide (CID 114255303) is N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide is COc1cc(NC(=O)C(=O)NCCN)nn1C.
What is the InChIKey of N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide?
The InChIKey is RDLAXWSWRVUPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-14-7(17-2)5-6(13-14)12-9(16)8(15)11-4-3-10/h5H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,16).
What are the key properties of N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide?
N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide has a molecular weight of 241.25 g/mol, XLogP of -1.56, 4 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)oxamide is sourced from PubChem (CID 114255303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).