1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone

C15H18N2O2 — CID 103002738

IUPAC1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCCc1ccnn1C
InChIInChI=1S/C15H18N2O2/c1-11-4-5-15(14(10-11)12(2)18)19-9-7-13-6-8-16-17(13)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyPAWKQNJRCKMJRI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.55
Rot. Bonds5

About 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone

1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone (PubChem CID 103002738) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
PubChem CID103002738
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCCc1ccnn1C
InChIInChI=1S/C15H18N2O2/c1-11-4-5-15(14(10-11)12(2)18)19-9-7-13-6-8-16-17(13)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyPAWKQNJRCKMJRI-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106
potassium trifluoro-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boranuide
CID 103003907
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 102999412
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
methyl 4-amino-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoate
CID 106955136
(E)-3-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]prop-2-enoic acid
CID 107692350
(E)-3-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]prop-2-enoic acid
CID 103003827
1-(2-but-3-ynoxy-5-methylphenyl)ethanone
CID 43504869
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone (CID 103002738) is 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone is CC(=O)c1cc(C)ccc1OCCc1ccnn1C.
What is the InChIKey of 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone?
The InChIKey is PAWKQNJRCKMJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-5-15(14(10-11)12(2)18)19-9-7-13-6-8-16-17(13)3/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone?
1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 103002738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).