(1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H31N3O — CID 31045217

IUPAC(1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC(C)c1cc(C(C)C)n([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)n1
InChIInChI=1S/C22H31N3O/c1-14(2)18-13-19(15(3)4)25(24-18)20-16-7-5-6-8-17(16)22(21(20)26)9-11-23-12-10-22/h5-8,13-15,20-21,23,26H,9-12H2,1-4H3/t20-,21+/m1/s1
InChIKeyKCTPWNVUSSINSL-RTWAWAEBSA-N
MW353.51 g/mol
LogP3.71
Rot. Bonds3

About (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31045217) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31045217
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name(1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC(C)c1cc(C(C)C)n([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)n1
InChIInChI=1S/C22H31N3O/c1-14(2)18-13-19(15(3)4)25(24-18)20-16-7-5-6-8-17(16)22(21(20)26)9-11-23-12-10-22/h5-8,13-15,20-21,23,26H,9-12H2,1-4H3/t20-,21+/m1/s1
InChIKeyKCTPWNVUSSINSL-RTWAWAEBSA-N
XLogP3.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31045217) is (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CC(C)c1cc(C(C)C)n([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)n1.
What is the InChIKey of (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is KCTPWNVUSSINSL-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H31N3O/c1-14(2)18-13-19(15(3)4)25(24-18)20-16-7-5-6-8-17(16)22(21(20)26)9-11-23-12-10-22/h5-8,13-15,20-21,23,26H,9-12H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 353.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31045217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).