1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole

C15H19FN2O — CID 107171387

IUPAC1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
SMILESCCC(C)n1ccc(COc2ccc(C)c(F)c2)n1
InChIInChI=1S/C15H19FN2O/c1-4-12(3)18-8-7-13(17-18)10-19-14-6-5-11(2)15(16)9-14/h5-9,12H,4,10H2,1-3H3
InChIKeyMDCSVPSAMCJBKL-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.88
Rot. Bonds5

About 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole

1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole (PubChem CID 107171387) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole.

Molecular Properties

Compound Name1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
PubChem CID107171387
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
SMILESCCC(C)n1ccc(COc2ccc(C)c(F)c2)n1
InChIInChI=1S/C15H19FN2O/c1-4-12(3)18-8-7-13(17-18)10-19-14-6-5-11(2)15(16)9-14/h5-9,12H,4,10H2,1-3H3
InChIKeyMDCSVPSAMCJBKL-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
CID 83136882
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]-trifluoroboranuide
CID 113240237
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-5-fluorophenyl]boronic acid
CID 81313801
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
(1R)-1-[2-fluoro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 107720241
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole?
The IUPAC name of 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole (CID 107171387) is 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole.
What is the SMILES notation for 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole?
The canonical SMILES for 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole is CCC(C)n1ccc(COc2ccc(C)c(F)c2)n1.
What is the InChIKey of 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole?
The InChIKey is MDCSVPSAMCJBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-4-12(3)18-8-7-13(17-18)10-19-14-6-5-11(2)15(16)9-14/h5-9,12H,4,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole?
1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole has a molecular weight of 262.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole is sourced from PubChem (CID 107171387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).