1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol

C23H35N3O2 — CID 146114426

IUPAC1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol
SMILESOC1CC2(CCN(CC34CCC(CC3)C4)CC2)Oc2cn(C3CCCC3)nc21
InChIInChI=1S/C23H35N3O2/c27-19-14-23(28-20-15-26(24-21(19)20)18-3-1-2-4-18)9-11-25(12-10-23)16-22-7-5-17(13-22)6-8-22/h15,17-19,27H,1-14,16H2
InChIKeyTVZDIFYMAYMNOQ-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.23
Rot. Bonds3

About 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol

1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol (PubChem CID 146114426) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol.

Molecular Properties

Compound Name1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol
PubChem CID146114426
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol
SMILESOC1CC2(CCN(CC34CCC(CC3)C4)CC2)Oc2cn(C3CCCC3)nc21
InChIInChI=1S/C23H35N3O2/c27-19-14-23(28-20-15-26(24-21(19)20)18-3-1-2-4-18)9-11-25(12-10-23)16-22-7-5-17(13-22)6-8-22/h15,17-19,27H,1-14,16H2
InChIKeyTVZDIFYMAYMNOQ-UHFFFAOYSA-N
XLogP4.23
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol?
The IUPAC name of 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol (CID 146114426) is 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol.
What is the SMILES notation for 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol?
The canonical SMILES for 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol is OC1CC2(CCN(CC34CCC(CC3)C4)CC2)Oc2cn(C3CCCC3)nc21.
What is the InChIKey of 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol?
The InChIKey is TVZDIFYMAYMNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c27-19-14-23(28-20-15-26(24-21(19)20)18-3-1-2-4-18)9-11-25(12-10-23)16-22-7-5-17(13-22)6-8-22/h15,17-19,27H,1-14,16H2.
What are the key properties of 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol?
1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol has a molecular weight of 385.55 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol is sourced from PubChem (CID 146114426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).