1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C18H23N3O3 — CID 51086639

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCCC1c1ccc2c(c1)OCCO2)Cn1cccn1
InChIInChI=1S/C18H23N3O3/c22-15(13-21-8-2-6-19-21)12-20-7-1-3-16(20)14-4-5-17-18(11-14)24-10-9-23-17/h2,4-6,8,11,15-16,22H,1,3,7,9-10,12-13H2
InChIKeyKGQLNGLZCPAONP-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.85
Rot. Bonds5

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 51086639) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID51086639
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCCC1c1ccc2c(c1)OCCO2)Cn1cccn1
InChIInChI=1S/C18H23N3O3/c22-15(13-21-8-2-6-19-21)12-20-7-1-3-16(20)14-4-5-17-18(11-14)24-10-9-23-17/h2,4-6,8,11,15-16,22H,1,3,7,9-10,12-13H2
InChIKeyKGQLNGLZCPAONP-UHFFFAOYSA-N
XLogP1.85
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol
CID 47053600
1-(2-chlorophenoxy)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propan-2-ol
CID 112803222
(2R)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 124839222
(2S)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 124839223
1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazole
CID 146419273
(2S)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 124816258
2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine
CID 146419629
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 71898806
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86908492
ethyl 3-[(2R)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 124733137
ethyl 3-[(2R)-3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 32525166
4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]butanenitrile
CID 94468427

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 51086639) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is OC(CN1CCCC1c1ccc2c(c1)OCCO2)Cn1cccn1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is KGQLNGLZCPAONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-15(13-21-8-2-6-19-21)12-20-7-1-3-16(20)14-4-5-17-18(11-14)24-10-9-23-17/h2,4-6,8,11,15-16,22H,1,3,7,9-10,12-13H2.
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 329.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 51086639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).