5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole

C9H11FN2O — CID 134393671

IUPAC5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole
SMILESFC12CC(COc3ccn[nH]3)(C1)C2
InChIInChI=1S/C9H11FN2O/c10-9-3-8(4-9,5-9)6-13-7-1-2-11-12-7/h1-2H,3-6H2,(H,11,12)
InChIKeyNXLSFOMQOYJPJJ-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.68
Rot. Bonds3

About 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole

5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole (PubChem CID 134393671) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole
PubChem CID134393671
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole
SMILESFC12CC(COc3ccn[nH]3)(C1)C2
InChIInChI=1S/C9H11FN2O/c10-9-3-8(4-9,5-9)6-13-7-1-2-11-12-7/h1-2H,3-6H2,(H,11,12)
InChIKeyNXLSFOMQOYJPJJ-UHFFFAOYSA-N
XLogP1.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole?
The IUPAC name of 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole (CID 134393671) is 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole?
The canonical SMILES for 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole is FC12CC(COc3ccn[nH]3)(C1)C2.
What is the InChIKey of 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole?
The InChIKey is NXLSFOMQOYJPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9-3-8(4-9,5-9)6-13-7-1-2-11-12-7/h1-2H,3-6H2,(H,11,12).
What are the key properties of 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole?
5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole has a molecular weight of 182.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole is sourced from PubChem (CID 134393671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).