5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide

C15H28N4O — CID 21266066

IUPAC5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide
SMILESCCCCCCCCCn1nc(CC)c(C(N)=O)c1N
InChIInChI=1S/C15H28N4O/c1-3-5-6-7-8-9-10-11-19-14(16)13(15(17)20)12(4-2)18-19/h3-11,16H2,1-2H3,(H2,17,20)
InChIKeyHXBLAXBLECPYMG-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.88
Rot. Bonds10

About 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide

5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide (PubChem CID 21266066) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide
PubChem CID21266066
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide
SMILESCCCCCCCCCn1nc(CC)c(C(N)=O)c1N
InChIInChI=1S/C15H28N4O/c1-3-5-6-7-8-9-10-11-19-14(16)13(15(17)20)12(4-2)18-19/h3-11,16H2,1-2H3,(H2,17,20)
InChIKeyHXBLAXBLECPYMG-UHFFFAOYSA-N
XLogP2.88
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-ethyl-1-nonylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide (CID 21266066) is 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide is CCCCCCCCCn1nc(CC)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide?
The InChIKey is HXBLAXBLECPYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-5-6-7-8-9-10-11-19-14(16)13(15(17)20)12(4-2)18-19/h3-11,16H2,1-2H3,(H2,17,20).
What are the key properties of 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide?
5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-nonylpyrazole-4-carboxamide is sourced from PubChem (CID 21266066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).