5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole

C6H8F3N2O3P — CID 162368587

IUPAC5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole
SMILESCOP(=O)(OC)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C6H8F3N2O3P/c1-13-15(12,14-2)5-4(3-10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKeyONAVDCVQWWEWQJ-UHFFFAOYSA-N
MW244.11 g/mol
LogP1.54
Rot. Bonds3

About 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole

5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 162368587) has the molecular formula C6H8F3N2O3P and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID162368587
Molecular FormulaC6H8F3N2O3P
Molecular Weight244.11 g/mol
Exact Mass244.02
IUPAC Name5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole
SMILESCOP(=O)(OC)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C6H8F3N2O3P/c1-13-15(12,14-2)5-4(3-10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKeyONAVDCVQWWEWQJ-UHFFFAOYSA-N
XLogP1.54
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole (CID 162368587) is 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole is COP(=O)(OC)c1[nH]ncc1C(F)(F)F.
What is the InChIKey of 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ONAVDCVQWWEWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N2O3P/c1-13-15(12,14-2)5-4(3-10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11).
What are the key properties of 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole?
5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 244.11 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 162368587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).