5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile

C11H16N4O3 — CID 51100206

IUPAC5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile
SMILESCCOCCOC(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C11H16N4O3/c1-3-17-4-5-18-8(2)11(16)15-10(13)9(6-12)7-14-15/h7-8H,3-5,13H2,1-2H3
InChIKeyBQIKTNDAQPDBKB-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.42
Rot. Bonds6

About 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile

5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile (PubChem CID 51100206) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile
PubChem CID51100206
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile
SMILESCCOCCOC(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C11H16N4O3/c1-3-17-4-5-18-8(2)11(16)15-10(13)9(6-12)7-14-15/h7-8H,3-5,13H2,1-2H3
InChIKeyBQIKTNDAQPDBKB-UHFFFAOYSA-N
XLogP0.42
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile (CID 51100206) is 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile is CCOCCOC(C)C(=O)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile?
The InChIKey is BQIKTNDAQPDBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-17-4-5-18-8(2)11(16)15-10(13)9(6-12)7-14-15/h7-8H,3-5,13H2,1-2H3.
What are the key properties of 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile?
5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile has a molecular weight of 252.27 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 51100206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).