4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole

C18H16N2O2 — CID 67887635

IUPAC4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole
SMILESC(=COc1ccccc1)Cc1[nH]ncc1Oc1ccccc1
InChIInChI=1S/C18H16N2O2/c1-3-8-15(9-4-1)21-13-7-12-17-18(14-19-20-17)22-16-10-5-2-6-11-16/h1-11,13-14H,12H2,(H,19,20)
InChIKeyJXGYSSHDIZPIHL-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.34
Rot. Bonds6

About 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole

4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole (PubChem CID 67887635) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole.

Molecular Properties

Compound Name4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole
PubChem CID67887635
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole
SMILESC(=COc1ccccc1)Cc1[nH]ncc1Oc1ccccc1
InChIInChI=1S/C18H16N2O2/c1-3-8-15(9-4-1)21-13-7-12-17-18(14-19-20-17)22-16-10-5-2-6-11-16/h1-11,13-14H,12H2,(H,19,20)
InChIKeyJXGYSSHDIZPIHL-UHFFFAOYSA-N
XLogP4.34
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole?
The IUPAC name of 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole (CID 67887635) is 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole.
What is the SMILES notation for 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole?
The canonical SMILES for 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole is C(=COc1ccccc1)Cc1[nH]ncc1Oc1ccccc1.
What is the InChIKey of 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole?
The InChIKey is JXGYSSHDIZPIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-8-15(9-4-1)21-13-7-12-17-18(14-19-20-17)22-16-10-5-2-6-11-16/h1-11,13-14H,12H2,(H,19,20).
What are the key properties of 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole?
4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole has a molecular weight of 292.34 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-5-(3-phenoxyprop-2-enyl)-1H-pyrazole is sourced from PubChem (CID 67887635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).