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

C15H20N2O — CID 64779517

IUPAC1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
SMILESCCC(C)n1ccc(COc2cccc(C)c2)n1
InChIInChI=1S/C15H20N2O/c1-4-13(3)17-9-8-14(16-17)11-18-15-7-5-6-12(2)10-15/h5-10,13H,4,11H2,1-3H3
InChIKeyRPGXYYIADPZBIP-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.74
Rot. Bonds5

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

1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole (PubChem CID 64779517) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole.

Molecular Properties

Compound Name1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
PubChem CID64779517
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
SMILESCCC(C)n1ccc(COc2cccc(C)c2)n1
InChIInChI=1S/C15H20N2O/c1-4-13(3)17-9-8-14(16-17)11-18-15-7-5-6-12(2)10-15/h5-10,13H,4,11H2,1-3H3
InChIKeyRPGXYYIADPZBIP-UHFFFAOYSA-N
XLogP3.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
CID 107171387
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
CID 83136882
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799429
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]-trifluoroboranuide
CID 113240237
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
trifluoro-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boranuide
CID 64773108
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole?
The IUPAC name of 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole (CID 64779517) is 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole.
What is the SMILES notation for 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole?
The canonical SMILES for 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole is CCC(C)n1ccc(COc2cccc(C)c2)n1.
What is the InChIKey of 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole?
The InChIKey is RPGXYYIADPZBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-13(3)17-9-8-14(16-17)11-18-15-7-5-6-12(2)10-15/h5-10,13H,4,11H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole?
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.74, 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-methylphenoxy)methyl]pyrazole is sourced from PubChem (CID 64779517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).