2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite

C21H25N2O3P — CID 132516964

IUPAC2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite
SMILESCCOP(OCC)OCCn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H25N2O3P/c1-3-24-27(25-4-2)26-16-15-23-21(19-13-9-6-10-14-19)17-20(22-23)18-11-7-5-8-12-18/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyZRWAQHTXTBHUDV-UHFFFAOYSA-N
MW384.42 g/mol
LogP5.53
Rot. Bonds10

About 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite

2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite (PubChem CID 132516964) has the molecular formula C21H25N2O3P and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite.

Molecular Properties

Compound Name2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite
PubChem CID132516964
Molecular FormulaC21H25N2O3P
Molecular Weight384.42 g/mol
Exact Mass384.16
IUPAC Name2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite
SMILESCCOP(OCC)OCCn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H25N2O3P/c1-3-24-27(25-4-2)26-16-15-23-21(19-13-9-6-10-14-19)17-20(22-23)18-11-7-5-8-12-18/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyZRWAQHTXTBHUDV-UHFFFAOYSA-N
XLogP5.53
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Difenzoquat metilsulfate
CID 39424
Difenzoquat
CID 39425
1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
(3,5-Diphenyl-pyrazol-1-yl)-acetic acid
CID 824607
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
1-Benzyl-4-(3-methyl-5-phenyl-pyrazol-1-yl)-piperidine
CID 44459452
4-[[1-Cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155538169
4-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155545737
3-Pentyl-1,5-diphenylpyrazole
CID 71583291
3,4-Dimethyl-1,5-diphenylpyrazole
CID 10800584
4-[[1-Propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155546533

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite?
The IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite (CID 132516964) is 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite.
What is the SMILES notation for 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite?
The canonical SMILES for 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite is CCOP(OCC)OCCn1nc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite?
The InChIKey is ZRWAQHTXTBHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2O3P/c1-3-24-27(25-4-2)26-16-15-23-21(19-13-9-6-10-14-19)17-20(22-23)18-11-7-5-8-12-18/h5-14,17H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite?
2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite has a molecular weight of 384.42 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylpyrazol-1-yl)ethyl diethyl phosphite is sourced from PubChem (CID 132516964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).