(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone

C14H16N2O4S — CID 115810193

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H16N2O4S/c1-4-16-13(12(20-2)9-15-16)14(17)10-6-5-7-11(8-10)21(3,18)19/h5-9H,4H2,1-3H3
InChIKeyBTMGBZKNQHYGFD-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.55
Rot. Bonds5

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone

(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone (PubChem CID 115810193) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone
PubChem CID115810193
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H16N2O4S/c1-4-16-13(12(20-2)9-15-16)14(17)10-6-5-7-11(8-10)21(3,18)19/h5-9H,4H2,1-3H3
InChIKeyBTMGBZKNQHYGFD-UHFFFAOYSA-N
XLogP1.55
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115810337
[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
(3-methylsulfonylphenyl)-(3-propyltriazol-4-yl)methanone
CID 115802353
(5-methoxy-3-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 115793456
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
(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
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone (CID 115810193) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone is CCn1ncc(OC)c1C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone?
The InChIKey is BTMGBZKNQHYGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-4-16-13(12(20-2)9-15-16)14(17)10-6-5-7-11(8-10)21(3,18)19/h5-9H,4H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone has a molecular weight of 308.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 115810193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).