1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide

C22H27N3O — CID 86273676

IUPAC1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-4-5-11-16-25-19-15-10-9-14-18(19)20(24-25)21(26)23-22(2,3)17-12-7-6-8-13-17/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,23,26)
InChIKeyLCBASRYREGWIJT-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.89
Rot. Bonds7

About 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide

1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide (PubChem CID 86273676) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
PubChem CID86273676
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-4-5-11-16-25-19-15-10-9-14-18(19)20(24-25)21(26)23-22(2,3)17-12-7-6-8-13-17/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,23,26)
InChIKeyLCBASRYREGWIJT-UHFFFAOYSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide (CID 86273676) is 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide is CCCCCn1nc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The InChIKey is LCBASRYREGWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-5-11-16-25-19-15-10-9-14-18(19)20(24-25)21(26)23-22(2,3)17-12-7-6-8-13-17/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,23,26).
What are the key properties of 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 86273676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).