methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane

C7H13N2P — CID 143699717

IUPACmethyl-(1,3,5-trimethylpyrazol-4-yl)phosphane
SMILESCPc1c(C)nn(C)c1C
InChIInChI=1S/C7H13N2P/c1-5-7(10-4)6(2)9(3)8-5/h10H,1-4H3
InChIKeyRNBDVZOVQDIPRN-UHFFFAOYSA-N
MW156.17 g/mol
LogP0.97
Rot. Bonds1

About methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane

methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane (PubChem CID 143699717) has the molecular formula C7H13N2P and a molecular weight of 156.17 g/mol. Its IUPAC name is methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane.

Molecular Properties

Compound Namemethyl-(1,3,5-trimethylpyrazol-4-yl)phosphane
PubChem CID143699717
Molecular FormulaC7H13N2P
Molecular Weight156.17 g/mol
Exact Mass156.08
IUPAC Namemethyl-(1,3,5-trimethylpyrazol-4-yl)phosphane
SMILESCPc1c(C)nn(C)c1C
InChIInChI=1S/C7H13N2P/c1-5-7(10-4)6(2)9(3)8-5/h10H,1-4H3
InChIKeyRNBDVZOVQDIPRN-UHFFFAOYSA-N
XLogP0.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 50.97
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 methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane?
The IUPAC name of methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane (CID 143699717) is methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane.
What is the SMILES notation for methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane?
The canonical SMILES for methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane is CPc1c(C)nn(C)c1C.
What is the InChIKey of methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane?
The InChIKey is RNBDVZOVQDIPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2P/c1-5-7(10-4)6(2)9(3)8-5/h10H,1-4H3.
What are the key properties of methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane?
methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane has a molecular weight of 156.17 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane is sourced from PubChem (CID 143699717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).