(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone

C15H18N2O2S — CID 106847992

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone
SMILESCCSc1ccc(C(=O)c2c(OC)cnn2CC)cc1
InChIInChI=1S/C15H18N2O2S/c1-4-17-14(13(19-3)10-16-17)15(18)11-6-8-12(9-7-11)20-5-2/h6-10H,4-5H2,1-3H3
InChIKeyCAZQUWKAVWXEQW-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.25
Rot. Bonds6

About (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone

(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone (PubChem CID 106847992) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone
PubChem CID106847992
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone
SMILESCCSc1ccc(C(=O)c2c(OC)cnn2CC)cc1
InChIInChI=1S/C15H18N2O2S/c1-4-17-14(13(19-3)10-16-17)15(18)11-6-8-12(9-7-11)20-5-2/h6-10H,4-5H2,1-3H3
InChIKeyCAZQUWKAVWXEQW-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone 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-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105133000
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone
CID 115810193
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115810337
(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone
CID 114642420
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641940
[(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methyl]hydrazine
CID 106850526
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone (CID 106847992) is (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone is CCSc1ccc(C(=O)c2c(OC)cnn2CC)cc1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone?
The InChIKey is CAZQUWKAVWXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-17-14(13(19-3)10-16-17)15(18)11-6-8-12(9-7-11)20-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone?
(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone has a molecular weight of 290.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone is sourced from PubChem (CID 106847992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).