[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane

C16H14F2N3P — CID 170149782

IUPAC[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane
SMILESFC(F)(P)c1nn(Cc2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C16H14F2N3P/c17-16(18,22)15-14(12-6-2-1-3-7-12)11-21(20-15)10-13-8-4-5-9-19-13/h1-9,11H,10,22H2
InChIKeyXZBFQDYOXONPBE-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.92
Rot. Bonds4

About [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane

[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane (PubChem CID 170149782) has the molecular formula C16H14F2N3P and a molecular weight of 317.28 g/mol. Its IUPAC name is [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane.

Molecular Properties

Compound Name[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane
PubChem CID170149782
Molecular FormulaC16H14F2N3P
Molecular Weight317.28 g/mol
Exact Mass317.09
IUPAC Name[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane
SMILESFC(F)(P)c1nn(Cc2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C16H14F2N3P/c17-16(18,22)15-14(12-6-2-1-3-7-12)11-21(20-15)10-13-8-4-5-9-19-13/h1-9,11H,10,22H2
InChIKeyXZBFQDYOXONPBE-UHFFFAOYSA-N
XLogP3.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
CID 156810321
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 171785766
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane
CID 170150145
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 62949782
[(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane
CID 170149774
bis(acetonitrile);palladium(2+);bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132083
[fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane
CID 170150110
1-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carbonitrile
CID 60709671
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279

Frequently Asked Questions

What is the IUPAC name of [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane?
The IUPAC name of [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane (CID 170149782) is [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane.
What is the SMILES notation for [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane?
The canonical SMILES for [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane is FC(F)(P)c1nn(Cc2ccccn2)cc1-c1ccccc1.
What is the InChIKey of [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane?
The InChIKey is XZBFQDYOXONPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N3P/c17-16(18,22)15-14(12-6-2-1-3-7-12)11-21(20-15)10-13-8-4-5-9-19-13/h1-9,11H,10,22H2.
What are the key properties of [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane?
[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane has a molecular weight of 317.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane is sourced from PubChem (CID 170149782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).