1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole

C24H26N8O2 — CID 102279710

IUPAC1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
SMILESc1cc(COCC(n2cccn2)n2cccn2)cc(COCC(n2cccn2)n2cccn2)c1
InChIInChI=1S/C24H26N8O2/c1-6-21(17-33-19-23(29-12-2-8-25-29)30-13-3-9-26-30)16-22(7-1)18-34-20-24(31-14-4-10-27-31)32-15-5-11-28-32/h1-16,23-24H,17-20H2
InChIKeyIBJBULBDIWHCOA-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.00
Rot. Bonds12

About 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole

1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole (PubChem CID 102279710) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole.

Molecular Properties

Compound Name1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
PubChem CID102279710
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
SMILESc1cc(COCC(n2cccn2)n2cccn2)cc(COCC(n2cccn2)n2cccn2)c1
InChIInChI=1S/C24H26N8O2/c1-6-21(17-33-19-23(29-12-2-8-25-29)30-13-3-9-26-30)16-22(7-1)18-34-20-24(31-14-4-10-27-31)32-15-5-11-28-32/h1-16,23-24H,17-20H2
InChIKeyIBJBULBDIWHCOA-UHFFFAOYSA-N
XLogP3.00
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[1,1-Di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 12057030
1-[1,1-Di(pyrazol-1-yl)-2-[[2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 12107279
1-[1,1-Di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 16133405
Silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;tetrafluoroborate
CID 139126379
Silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate
CID 139126380
1-[2-[[3-Iodo-5-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 139174994
1-[2-[[3-[2-[3,5-Bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]ethynyl]-5-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 139174995
2-Phenyl-4-pyrazol-1-yl-4,5-dihydro-1,3-oxazole
CID 172229443
2-(3-Methylphenyl)-4-pyrazol-1-yl-4,5-dihydro-1,3-oxazole
CID 172229449
1-[1,1-Di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 11980547
1-[2-[[2,3,4,5,6-Pentakis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 16159454
Tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 22834449

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?
The IUPAC name of 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole (CID 102279710) is 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole.
What is the SMILES notation for 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?
The canonical SMILES for 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole is c1cc(COCC(n2cccn2)n2cccn2)cc(COCC(n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?
The InChIKey is IBJBULBDIWHCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-6-21(17-33-19-23(29-12-2-8-25-29)30-13-3-9-26-30)16-22(7-1)18-34-20-24(31-14-4-10-27-31)32-15-5-11-28-32/h1-16,23-24H,17-20H2.
What are the key properties of 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?
1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole has a molecular weight of 458.53 g/mol, XLogP of 3.00, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole is sourced from PubChem (CID 102279710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).