5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole

C9H13FN2O — CID 134398570

IUPAC5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole
SMILESCC1(COc2ccn[nH]2)CC(F)C1
InChIInChI=1S/C9H13FN2O/c1-9(4-7(10)5-9)6-13-8-2-3-11-12-8/h2-3,7H,4-6H2,1H3,(H,11,12)
InChIKeyXRIHFIVMDCWFPG-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.93
Rot. Bonds3

About 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole

5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole (PubChem CID 134398570) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole
PubChem CID134398570
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole
SMILESCC1(COc2ccn[nH]2)CC(F)C1
InChIInChI=1S/C9H13FN2O/c1-9(4-7(10)5-9)6-13-8-2-3-11-12-8/h2-3,7H,4-6H2,1H3,(H,11,12)
InChIKeyXRIHFIVMDCWFPG-UHFFFAOYSA-N
XLogP1.93
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole 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 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole?
The IUPAC name of 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole (CID 134398570) is 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole?
The canonical SMILES for 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole is CC1(COc2ccn[nH]2)CC(F)C1.
What is the InChIKey of 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole?
The InChIKey is XRIHFIVMDCWFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(4-7(10)5-9)6-13-8-2-3-11-12-8/h2-3,7H,4-6H2,1H3,(H,11,12).
What are the key properties of 5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole?
5-[(3-fluoro-1-methylcyclobutyl)methoxy]-1H-pyrazole has a molecular weight of 184.21 g/mol, XLogP of 1.93, 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-methylcyclobutyl)methoxy]-1H-pyrazole is sourced from PubChem (CID 134398570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).