5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole

C14H16F3N2O3P — CID 164667314

IUPAC5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCCOP(=O)(OCC)c1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C14H16F3N2O3P/c1-3-21-23(20,22-4-2)13-10-12(14(15,16)17)18-19(13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyREPDAZLYUJWIFV-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.78
Rot. Bonds6

About 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole

5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 164667314) has the molecular formula C14H16F3N2O3P and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID164667314
Molecular FormulaC14H16F3N2O3P
Molecular Weight348.26 g/mol
Exact Mass348.09
IUPAC Name5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCCOP(=O)(OCC)c1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C14H16F3N2O3P/c1-3-21-23(20,22-4-2)13-10-12(14(15,16)17)18-19(13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyREPDAZLYUJWIFV-UHFFFAOYSA-N
XLogP3.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.78
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

CID 70800
CID 70800
CID 11211184
CID 11211184
CID 2353039
CID 2353039
CID 14668995
CID 14668995
CID 21724113
CID 21724113
CID 2782549
CID 2782549
CID 21654013
CID 21654013
CID 21724058
CID 21724058
CID 15498741
CID 15498741
CID 85660689
CID 85660689
CID 141270349
CID 141270349
CID 135066178
CID 135066178

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole (CID 164667314) is 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole is CCOP(=O)(OCC)c1cc(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is REPDAZLYUJWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N2O3P/c1-3-21-23(20,22-4-2)13-10-12(14(15,16)17)18-19(13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole?
5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 348.26 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 164667314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).