[fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane

C8H16FN2P — CID 174315485

IUPAC[fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane
SMILESCC(C)CN1C=CC(C(F)P)N1
InChIInChI=1S/C8H16FN2P/c1-6(2)5-11-4-3-7(10-11)8(9)12/h3-4,6-8,10H,5,12H2,1-2H3
InChIKeyJLDCVGKSCWTZMT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.52
Rot. Bonds3

About [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane

[fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane (PubChem CID 174315485) has the molecular formula C8H16FN2P and a molecular weight of 190.20 g/mol. Its IUPAC name is [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane.

Molecular Properties

Compound Name[fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane
PubChem CID174315485
Molecular FormulaC8H16FN2P
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name[fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane
SMILESCC(C)CN1C=CC(C(F)P)N1
InChIInChI=1S/C8H16FN2P/c1-6(2)5-11-4-3-7(10-11)8(9)12/h3-4,6-8,10H,5,12H2,1-2H3
InChIKeyJLDCVGKSCWTZMT-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane?
The IUPAC name of [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane (CID 174315485) is [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane.
What is the SMILES notation for [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane?
The canonical SMILES for [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane is CC(C)CN1C=CC(C(F)P)N1.
What is the InChIKey of [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane?
The InChIKey is JLDCVGKSCWTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN2P/c1-6(2)5-11-4-3-7(10-11)8(9)12/h3-4,6-8,10H,5,12H2,1-2H3.
What are the key properties of [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane?
[fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane has a molecular weight of 190.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane is sourced from PubChem (CID 174315485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).