[difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane

C12H13F2N2OP — CID 129109919

IUPAC[difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane
SMILESCOc1ccc(-n2ccc(C(F)(F)P)n2)cc1C
InChIInChI=1S/C12H13F2N2OP/c1-8-7-9(3-4-10(8)17-2)16-6-5-11(15-16)12(13,14)18/h3-7H,18H2,1-2H3
InChIKeyCPUWCHUHBNYCES-UHFFFAOYSA-N
MW270.22 g/mol
LogP3.11
Rot. Bonds3

About [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane

[difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane (PubChem CID 129109919) has the molecular formula C12H13F2N2OP and a molecular weight of 270.22 g/mol. Its IUPAC name is [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane.

Molecular Properties

Compound Name[difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane
PubChem CID129109919
Molecular FormulaC12H13F2N2OP
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Name[difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane
SMILESCOc1ccc(-n2ccc(C(F)(F)P)n2)cc1C
InChIInChI=1S/C12H13F2N2OP/c1-8-7-9(3-4-10(8)17-2)16-6-5-11(15-16)12(13,14)18/h3-7H,18H2,1-2H3
InChIKeyCPUWCHUHBNYCES-UHFFFAOYSA-N
XLogP3.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane?
The IUPAC name of [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane (CID 129109919) is [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane.
What is the SMILES notation for [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane?
The canonical SMILES for [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane is COc1ccc(-n2ccc(C(F)(F)P)n2)cc1C.
What is the InChIKey of [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane?
The InChIKey is CPUWCHUHBNYCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N2OP/c1-8-7-9(3-4-10(8)17-2)16-6-5-11(15-16)12(13,14)18/h3-7H,18H2,1-2H3.
What are the key properties of [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane?
[difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane has a molecular weight of 270.22 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane is sourced from PubChem (CID 129109919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).