1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone

C16H20N2O2 — CID 64801500

IUPAC1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
SMILESCCC(C)n1ccc(COc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C16H20N2O2/c1-4-12(2)18-9-8-15(17-18)11-20-16-7-5-6-14(10-16)13(3)19/h5-10,12H,4,11H2,1-3H3
InChIKeyUVZMRWGDZUTFFB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.64
Rot. Bonds6

About 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone

1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone (PubChem CID 64801500) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
PubChem CID64801500
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
SMILESCCC(C)n1ccc(COc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C16H20N2O2/c1-4-12(2)18-9-8-15(17-18)11-20-16-7-5-6-14(10-16)13(3)19/h5-10,12H,4,11H2,1-3H3
InChIKeyUVZMRWGDZUTFFB-UHFFFAOYSA-N
XLogP3.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone 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

1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
(1-butan-2-ylpyrazol-3-yl)methyl 3-aminobenzoate
CID 64777071
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
CID 83136882
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
1-(3-bromophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 64783155
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799429
1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
CID 28782365
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]-trifluoroboranuide
CID 113240237
[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-5-fluorophenyl]boronic acid
CID 81313801

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone (CID 64801500) is 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone is CCC(C)n1ccc(COc2cccc(C(C)=O)c2)n1.
What is the InChIKey of 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone?
The InChIKey is UVZMRWGDZUTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-12(2)18-9-8-15(17-18)11-20-16-7-5-6-14(10-16)13(3)19/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone?
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 64801500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).