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

C6H11N2P — CID 143551216

IUPAC(1,3,5-trimethylpyrazol-4-yl)phosphane
SMILESCc1nn(C)c(C)c1P
InChIInChI=1S/C6H11N2P/c1-4-6(9)5(2)8(3)7-4/h9H2,1-3H3
InChIKeyNGLOGWNFMIXSNM-UHFFFAOYSA-N
MW142.14 g/mol
LogP0.54
Rot. Bonds

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

(1,3,5-trimethylpyrazol-4-yl)phosphane (PubChem CID 143551216) has the molecular formula C6H11N2P and a molecular weight of 142.14 g/mol. Its IUPAC name is (1,3,5-trimethylpyrazol-4-yl)phosphane.

Molecular Properties

Compound Name(1,3,5-trimethylpyrazol-4-yl)phosphane
PubChem CID143551216
Molecular FormulaC6H11N2P
Molecular Weight142.14 g/mol
Exact Mass142.07
IUPAC Name(1,3,5-trimethylpyrazol-4-yl)phosphane
SMILESCc1nn(C)c(C)c1P
InChIInChI=1S/C6H11N2P/c1-4-6(9)5(2)8(3)7-4/h9H2,1-3H3
InChIKeyNGLOGWNFMIXSNM-UHFFFAOYSA-N
XLogP0.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 50.54
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 (1,3,5-trimethylpyrazol-4-yl)phosphane?
The IUPAC name of (1,3,5-trimethylpyrazol-4-yl)phosphane (CID 143551216) is (1,3,5-trimethylpyrazol-4-yl)phosphane.
What is the SMILES notation for (1,3,5-trimethylpyrazol-4-yl)phosphane?
The canonical SMILES for (1,3,5-trimethylpyrazol-4-yl)phosphane is Cc1nn(C)c(C)c1P.
What is the InChIKey of (1,3,5-trimethylpyrazol-4-yl)phosphane?
The InChIKey is NGLOGWNFMIXSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2P/c1-4-6(9)5(2)8(3)7-4/h9H2,1-3H3.
What are the key properties of (1,3,5-trimethylpyrazol-4-yl)phosphane?
(1,3,5-trimethylpyrazol-4-yl)phosphane has a molecular weight of 142.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5-trimethylpyrazol-4-yl)phosphane is sourced from PubChem (CID 143551216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).