1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole

C19H20N2O2 — CID 86975191

IUPAC1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole
SMILESc1ccc(OCCOCCn2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-7-17(8-4-1)18-15-20-21(16-18)11-12-22-13-14-23-19-9-5-2-6-10-19/h1-10,15-16H,11-14H2
InChIKeyRUGXPLWQGJPWED-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.65
Rot. Bonds8

About 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole

1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole (PubChem CID 86975191) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole.

Molecular Properties

Compound Name1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole
PubChem CID86975191
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole
SMILESc1ccc(OCCOCCn2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-7-17(8-4-1)18-15-20-21(16-18)11-12-22-13-14-23-19-9-5-2-6-10-19/h1-10,15-16H,11-14H2
InChIKeyRUGXPLWQGJPWED-UHFFFAOYSA-N
XLogP3.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
CID 103482340
2-[1-(2-phenoxyethyl)pyrazol-4-yl]aniline
CID 63338298
1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199683
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 62455620
1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
CID 114265871
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carboxylic acid
CID 43151029
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole?
The IUPAC name of 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole (CID 86975191) is 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole.
What is the SMILES notation for 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole?
The canonical SMILES for 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole is c1ccc(OCCOCCn2cc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole?
The InChIKey is RUGXPLWQGJPWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-7-17(8-4-1)18-15-20-21(16-18)11-12-22-13-14-23-19-9-5-2-6-10-19/h1-10,15-16H,11-14H2.
What are the key properties of 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole?
1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole has a molecular weight of 308.38 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole is sourced from PubChem (CID 86975191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).