[fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane

C7H8FN4OP — CID 170383266

IUPAC[fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane
SMILESCc1nnc(-c2cnn(C(F)P)c2)o1
InChIInChI=1S/C7H8FN4OP/c1-4-10-11-6(13-4)5-2-9-12(3-5)7(8)14/h2-3,7H,14H2,1H3
InChIKeyJQRBLLOCWGYSLK-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.54
Rot. Bonds2

About [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane

[fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane (PubChem CID 170383266) has the molecular formula C7H8FN4OP and a molecular weight of 214.14 g/mol. Its IUPAC name is [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane.

Molecular Properties

Compound Name[fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane
PubChem CID170383266
Molecular FormulaC7H8FN4OP
Molecular Weight214.14 g/mol
Exact Mass214.04
IUPAC Name[fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane
SMILESCc1nnc(-c2cnn(C(F)P)c2)o1
InChIInChI=1S/C7H8FN4OP/c1-4-10-11-6(13-4)5-2-9-12(3-5)7(8)14/h2-3,7H,14H2,1H3
InChIKeyJQRBLLOCWGYSLK-UHFFFAOYSA-N
XLogP1.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane?
The IUPAC name of [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane (CID 170383266) is [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane.
What is the SMILES notation for [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane?
The canonical SMILES for [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane is Cc1nnc(-c2cnn(C(F)P)c2)o1.
What is the InChIKey of [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane?
The InChIKey is JQRBLLOCWGYSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN4OP/c1-4-10-11-6(13-4)5-2-9-12(3-5)7(8)14/h2-3,7H,14H2,1H3.
What are the key properties of [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane?
[fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane has a molecular weight of 214.14 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]methyl]phosphane is sourced from PubChem (CID 170383266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).