2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide

C₃₄H₃₀N₆O — CID 159286132

About 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide

2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide (PubChem CID 159286132) has the molecular formula C₃₄H₃₀N₆O and a molecular weight of 538.66 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 159286132
• Molecular Formula: C₃₄H₃₀N₆O
• Molecular Weight: 538.66 g/mol
• Exact Mass: 538.25
• IUPAC Name: 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
• SMILES: Cc1ccccc1-c1cc2ccc(N)cc2[nH]1.Cc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1
• InChI: InChI=1S/C19H16N4O.C15H14N2/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16;1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h2-11,22H,1H3,(H,20,23)(H,21,24);2-9,17H,16H2,1H3
• InChIKey: KZNLKUBWNUAGCA-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 115.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.66
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide (CID 159286132) is 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide is Cc1ccccc1-c1cc2ccc(N)cc2[nH]1.Cc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1.

What is the InChIKey of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is KZNLKUBWNUAGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O.C15H14N2/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16;1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h2-11,22H,1H3,(H,20,23)(H,21,24);2-9,17H,16H2,1H3.

What are the key properties of 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?

2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 538.66 g/mol, XLogP of 7.84, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylphenyl)-1H-indol-6-amine;N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 159286132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159286132 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.