[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone

C21H21N3O3 — CID 71801252

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H21N3O3/c25-20(17-14-16(22-23-17)19-6-3-13-26-19)24-11-9-21(10-12-24)8-7-15-4-1-2-5-18(15)27-21/h1-6,13-14H,7-12H2,(H,22,23)
InChIKeyFMHFTVRFQLCXPY-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.67
Rot. Bonds2

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 71801252) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
PubChem CID71801252
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H21N3O3/c25-20(17-14-16(22-23-17)19-6-3-13-26-19)24-11-9-21(10-12-24)8-7-15-4-1-2-5-18(15)27-21/h1-6,13-14H,7-12H2,(H,22,23)
InChIKeyFMHFTVRFQLCXPY-UHFFFAOYSA-N
XLogP3.67
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone (CID 71801252) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is FMHFTVRFQLCXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20(17-14-16(22-23-17)19-6-3-13-26-19)24-11-9-21(10-12-24)8-7-15-4-1-2-5-18(15)27-21/h1-6,13-14H,7-12H2,(H,22,23).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 363.42 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 71801252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).