[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane

C13H18N2P2 — CID 170150145

IUPAC[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane
SMILESCCn1cc(-c2ccccc2)c(C(C)(P)P)n1
InChIInChI=1S/C13H18N2P2/c1-3-15-9-11(10-7-5-4-6-8-10)12(14-15)13(2,16)17/h4-9H,3,16-17H2,1-2H3
InChIKeyNINQQOVPKVTDQB-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.49
Rot. Bonds3

About [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane

[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane (PubChem CID 170150145) has the molecular formula C13H18N2P2 and a molecular weight of 264.25 g/mol. Its IUPAC name is [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane.

Molecular Properties

Compound Name[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane
PubChem CID170150145
Molecular FormulaC13H18N2P2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane
SMILESCCn1cc(-c2ccccc2)c(C(C)(P)P)n1
InChIInChI=1S/C13H18N2P2/c1-3-15-9-11(10-7-5-4-6-8-10)12(14-15)13(2,16)17/h4-9H,3,16-17H2,1-2H3
InChIKeyNINQQOVPKVTDQB-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.49
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-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane?
The IUPAC name of [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane (CID 170150145) is [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane.
What is the SMILES notation for [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane?
The canonical SMILES for [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane is CCn1cc(-c2ccccc2)c(C(C)(P)P)n1.
What is the InChIKey of [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane?
The InChIKey is NINQQOVPKVTDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2P2/c1-3-15-9-11(10-7-5-4-6-8-10)12(14-15)13(2,16)17/h4-9H,3,16-17H2,1-2H3.
What are the key properties of [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane?
[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane has a molecular weight of 264.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane is sourced from PubChem (CID 170150145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).