6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C22H31N3O2 — CID 25060020

IUPAC6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCCCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-3-4-8-13-24-14-11-22(12-15-24)19-17-23-25(18-9-6-5-7-10-18)20(19)16-21(26-2)27-22/h5-7,9-10,17,21H,3-4,8,11-16H2,1-2H3
InChIKeyRMVFRQIWSFNEFP-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.90
Rot. Bonds6

About 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060020) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060020
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCCCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-3-4-8-13-24-14-11-22(12-15-24)19-17-23-25(18-9-6-5-7-10-18)20(19)16-21(26-2)27-22/h5-7,9-10,17,21H,3-4,8,11-16H2,1-2H3
InChIKeyRMVFRQIWSFNEFP-UHFFFAOYSA-N
XLogP3.90
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] with MolForge

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

Launch Full Analysis

Related Compounds

1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
CID 24939244
1'-(Cyclohexylmethyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25015387
1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
CID 25059765
6-Methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060021
1'-(Cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060024
1'-[(4-Fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060290
1'-(3-Methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060809
1-Phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060811
1-Methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25061063
(6R)-1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
CID 49798690
(6R)-6-methoxy-1-phenyl-1'-propan-2-ylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 49798699
1'-(3-Methylbut-3-enyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 54758206

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060020) is 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is CCCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1.
What is the InChIKey of 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is RMVFRQIWSFNEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-4-8-13-24-14-11-22(12-15-24)19-17-23-25(18-9-6-5-7-10-18)20(19)16-21(26-2)27-22/h5-7,9-10,17,21H,3-4,8,11-16H2,1-2H3.
What are the key properties of 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 369.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).