2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol

C17H15N3O3 — CID 11638140

IUPAC2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3c(c2)OCO3)c(-c2ccncc2)n1
InChIInChI=1S/C17H15N3O3/c21-8-7-20-10-14(17(19-20)12-3-5-18-6-4-12)13-1-2-15-16(9-13)23-11-22-15/h1-6,9-10,21H,7-8,11H2
InChIKeyFKWQBUGNQFJRGV-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.33
Rot. Bonds4

About 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol

2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol (PubChem CID 11638140) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol
PubChem CID11638140
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3c(c2)OCO3)c(-c2ccncc2)n1
InChIInChI=1S/C17H15N3O3/c21-8-7-20-10-14(17(19-20)12-3-5-18-6-4-12)13-1-2-15-16(9-13)23-11-22-15/h1-6,9-10,21H,7-8,11H2
InChIKeyFKWQBUGNQFJRGV-UHFFFAOYSA-N
XLogP2.33
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
CID 118375206
6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one
CID 135520113
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 18674028
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146315974
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
4,5-bis(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 155202227
3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol
CID 83968850
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 146316041
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 70708364
3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
CID 82149522
4-(1,3-benzodioxol-5-yl)-3-isocyanatopyridine
CID 83919410

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol (CID 11638140) is 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol is OCCn1cc(-c2ccc3c(c2)OCO3)c(-c2ccncc2)n1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol?
The InChIKey is FKWQBUGNQFJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-8-7-20-10-14(17(19-20)12-3-5-18-6-4-12)13-1-2-15-16(9-13)23-11-22-15/h1-6,9-10,21H,7-8,11H2.
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol?
2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol has a molecular weight of 309.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 11638140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).