2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

C15H18N4O — CID 61213666

IUPAC2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccccc1N
InChIInChI=1S/C15H18N4O/c1-19-14-8-4-7-13(11(14)9-17-19)18-15(20)10-5-2-3-6-12(10)16/h2-3,5-6,9,13H,4,7-8,16H2,1H3,(H,18,20)
InChIKeyDLZASDADXWEUNH-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (PubChem CID 61213666) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
PubChem CID61213666
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccccc1N
InChIInChI=1S/C15H18N4O/c1-19-14-8-4-7-13(11(14)9-17-19)18-15(20)10-5-2-3-6-12(10)16/h2-3,5-6,9,13H,4,7-8,16H2,1H3,(H,18,20)
InChIKeyDLZASDADXWEUNH-UHFFFAOYSA-N
XLogP1.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The IUPAC name of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (CID 61213666) is 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.
What is the SMILES notation for 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The canonical SMILES for 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is Cn1ncc2c1CCCC2NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The InChIKey is DLZASDADXWEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-14-8-4-7-13(11(14)9-17-19)18-15(20)10-5-2-3-6-12(10)16/h2-3,5-6,9,13H,4,7-8,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide has a molecular weight of 270.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is sourced from PubChem (CID 61213666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).