3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide

C18H20N4O2 — CID 25199443

IUPAC3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)n2nc(N)c3ccccc32)cc1
InChIInChI=1S/C18H20N4O2/c1-2-3-12-24-14-10-8-13(9-11-14)20-18(23)22-16-7-5-4-6-15(16)17(19)21-22/h4-11H,2-3,12H2,1H3,(H2,19,21)(H,20,23)
InChIKeyWHIJZCACRXMLAI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.88
Rot. Bonds5

About 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide

3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide (PubChem CID 25199443) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide
PubChem CID25199443
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)n2nc(N)c3ccccc32)cc1
InChIInChI=1S/C18H20N4O2/c1-2-3-12-24-14-10-8-13(9-11-14)20-18(23)22-16-7-5-4-6-15(16)17(19)21-22/h4-11H,2-3,12H2,1H3,(H2,19,21)(H,20,23)
InChIKeyWHIJZCACRXMLAI-UHFFFAOYSA-N
XLogP3.88
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide?
The IUPAC name of 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide (CID 25199443) is 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide is CCCCOc1ccc(NC(=O)n2nc(N)c3ccccc32)cc1.
What is the InChIKey of 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide?
The InChIKey is WHIJZCACRXMLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-3-12-24-14-10-8-13(9-11-14)20-18(23)22-16-7-5-4-6-15(16)17(19)21-22/h4-11H,2-3,12H2,1H3,(H2,19,21)(H,20,23).
What are the key properties of 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide?
3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-butoxyphenyl)indazole-1-carboxamide is sourced from PubChem (CID 25199443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).