(3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane

C18H19N2P — CID 122397088

IUPAC(3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane
SMILESCc1cc(C)n(CP(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H19N2P/c1-15-13-16(2)20(19-15)14-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3
InChIKeyHVRNYYJPFXTADC-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.59
Rot. Bonds4

About (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane

(3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane (PubChem CID 122397088) has the molecular formula C18H19N2P and a molecular weight of 294.34 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane
PubChem CID122397088
Molecular FormulaC18H19N2P
Molecular Weight294.34 g/mol
Exact Mass294.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane
SMILESCc1cc(C)n(CP(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H19N2P/c1-15-13-16(2)20(19-15)14-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3
InChIKeyHVRNYYJPFXTADC-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane (CID 122397088) is (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane is Cc1cc(C)n(CP(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane?
The InChIKey is HVRNYYJPFXTADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2P/c1-15-13-16(2)20(19-15)14-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane?
(3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane has a molecular weight of 294.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane is sourced from PubChem (CID 122397088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).