[3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone

C26H37N3O3 — CID 130371069

About [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone

[3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone (PubChem CID 130371069) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
• PubChem CID: 130371069
• Molecular Formula: C26H37N3O3
• Molecular Weight: 439.60 g/mol
• Exact Mass: 439.28
• IUPAC Name: [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)CC(OC(C)C)c2nn(C)cc2O3)ccc1CC(C)C
• InChI: InChI=1S/C26H37N3O3/c1-17(2)13-20-7-8-21(14-19(20)5)25(30)29-11-9-26(10-12-29)15-22(31-18(3)4)24-23(32-26)16-28(6)27-24/h7-8,14,16-18,22H,9-13,15H2,1-6H3
• InChIKey: JJHHXCOMPRHTSC-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.60
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?

The IUPAC name of [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone (CID 130371069) is [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)CC(OC(C)C)c2nn(C)cc2O3)ccc1CC(C)C.

What is the InChIKey of [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?

The InChIKey is JJHHXCOMPRHTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-17(2)13-20-7-8-21(14-19(20)5)25(30)29-11-9-26(10-12-29)15-22(31-18(3)4)24-23(32-26)16-28(6)27-24/h7-8,14,16-18,22H,9-13,15H2,1-6H3.

What are the key properties of [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?

[3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone has a molecular weight of 439.60 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 130371069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).