4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole

C13H17N2O2P — CID 11865238

IUPAC4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole
SMILESCO[P@@](C)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H17N2O2P/c1-10-13(18(4,16)17-3)11(2)15(14-10)12-8-6-5-7-9-12/h5-9H,1-4H3/t18-/m1/s1
InChIKeyYLHCIXWPRRKFQM-GOSISDBHSA-N
MW264.26 g/mol
LogP2.67
Rot. Bonds3

About 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole

4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole (PubChem CID 11865238) has the molecular formula C13H17N2O2P and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole
PubChem CID11865238
Molecular FormulaC13H17N2O2P
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole
SMILESCO[P@@](C)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H17N2O2P/c1-10-13(18(4,16)17-3)11(2)15(14-10)12-8-6-5-7-9-12/h5-9H,1-4H3/t18-/m1/s1
InChIKeyYLHCIXWPRRKFQM-GOSISDBHSA-N
XLogP2.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
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 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole?
The IUPAC name of 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole (CID 11865238) is 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole.
What is the SMILES notation for 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole?
The canonical SMILES for 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole is CO[P@@](C)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole?
The InChIKey is YLHCIXWPRRKFQM-GOSISDBHSA-N. The full InChI is InChI=1S/C13H17N2O2P/c1-10-13(18(4,16)17-3)11(2)15(14-10)12-8-6-5-7-9-12/h5-9H,1-4H3/t18-/m1/s1.
What are the key properties of 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole?
4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole has a molecular weight of 264.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole is sourced from PubChem (CID 11865238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).