1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C25H29N3O — CID 25060811

IUPAC1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESc1ccc(CCCN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2
InChIKeyXCOGRBOZWVVVII-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.37
Rot. Bonds5

About 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060811) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060811
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESc1ccc(CCCN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2
InChIKeyXCOGRBOZWVVVII-UHFFFAOYSA-N
XLogP4.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(Cyclohexylmethyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25015387
6-Methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060020
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-Methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25061063
1'-[[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561529
(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
1'-Benzyl-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25059766
6-Methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25059767

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060811) is 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is c1ccc(CCCN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is XCOGRBOZWVVVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2.
What are the key properties of 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 387.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).