(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

C₁₉H₁₇N₃O — CID 154852634

About (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 154852634) has the molecular formula C₁₉H₁₇N₃O and a molecular weight of 303.37 g/mol. Its IUPAC name is (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

• Compound Name: (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
• PubChem CID: 154852634
• Molecular Formula: C₁₉H₁₇N₃O
• Molecular Weight: 303.37 g/mol
• Exact Mass: 303.14
• IUPAC Name: (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
• SMILES: Cc1[nH]nc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc12
• InChI: InChI=1S/C19H17N3O/c1-13-17-11-15(7-8-18(17)21-20-13)19(23)22-10-9-16(12-22)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,20,21)
• InChIKey: COWMOOZDOSEZQI-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.37
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?

The IUPAC name of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 154852634) is (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

What is the SMILES notation for (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?

The canonical SMILES for (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is Cc1[nH]nc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc12.

What is the InChIKey of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?

The InChIKey is COWMOOZDOSEZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-17-11-15(7-8-18(17)21-20-13)19(23)22-10-9-16(12-22)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,20,21).

What are the key properties of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?

(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 154852634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154852634 — identifiers, structure, computed properties (public domain)

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