3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol

C21H18N4O3 — CID 67429050

IUPAC3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol
SMILESOc1cccc(N2C=CC=C(c3ccnn3-c3ccc4c(c3)OCCO4)N2)c1
InChIInChI=1S/C21H18N4O3/c26-17-4-1-3-15(13-17)24-10-2-5-18(23-24)19-8-9-22-25(19)16-6-7-20-21(14-16)28-12-11-27-20/h1-10,13-14,23,26H,11-12H2
InChIKeyRMOQUXOXTNASCN-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.23
Rot. Bonds3

About 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol

3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol (PubChem CID 67429050) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol
PubChem CID67429050
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol
SMILESOc1cccc(N2C=CC=C(c3ccnn3-c3ccc4c(c3)OCCO4)N2)c1
InChIInChI=1S/C21H18N4O3/c26-17-4-1-3-15(13-17)24-10-2-5-18(23-24)19-8-9-22-25(19)16-6-7-20-21(14-16)28-12-11-27-20/h1-10,13-14,23,26H,11-12H2
InChIKeyRMOQUXOXTNASCN-UHFFFAOYSA-N
XLogP3.23
TPSA71.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol?
The IUPAC name of 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol (CID 67429050) is 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol.
What is the SMILES notation for 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol?
The canonical SMILES for 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol is Oc1cccc(N2C=CC=C(c3ccnn3-c3ccc4c(c3)OCCO4)N2)c1.
What is the InChIKey of 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol?
The InChIKey is RMOQUXOXTNASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-17-4-1-3-15(13-17)24-10-2-5-18(23-24)19-8-9-22-25(19)16-6-7-20-21(14-16)28-12-11-27-20/h1-10,13-14,23,26H,11-12H2.
What are the key properties of 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol?
3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol has a molecular weight of 374.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]-1H-pyridazin-2-yl]phenol is sourced from PubChem (CID 67429050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).