1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole

C12H14N2O4S — CID 22771649

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2cc(C)cn2)cc1OC
InChIInChI=1S/C12H14N2O4S/c1-9-7-13-14(8-9)19(15,16)10-4-5-11(17-2)12(6-10)18-3/h4-8H,1-3H3
InChIKeyFZFNNKITMFUIRS-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.45
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole

1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole (PubChem CID 22771649) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole
PubChem CID22771649
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2cc(C)cn2)cc1OC
InChIInChI=1S/C12H14N2O4S/c1-9-7-13-14(8-9)19(15,16)10-4-5-11(17-2)12(6-10)18-3/h4-8H,1-3H3
InChIKeyFZFNNKITMFUIRS-UHFFFAOYSA-N
XLogP1.45
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-Dimethoxyphenyl)sulfonylpyrazole
CID 646938
1-(3-Ethoxy-4-fluorophenyl)sulfonylpyrazole
CID 6499731
1-(3,4-Dimethoxyphenyl)sulfonyl-4-nitropyrazole
CID 778404
1-(3,4-Dimethoxyphenyl)sulfonylpyrazole
CID 778403
1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazole
CID 844644
1-(4-Ethoxyphenyl)sulfonylpyrazole
CID 6463761
1-(4-fluoro-3-methoxybenzenesulfonyl)-1H-pyrazole
CID 6499730
2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 35311780
2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532793
N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 47812923
3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897609
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 61003634

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole (CID 22771649) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole is COc1ccc(S(=O)(=O)n2cc(C)cn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole?
The InChIKey is FZFNNKITMFUIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-9-7-13-14(8-9)19(15,16)10-4-5-11(17-2)12(6-10)18-3/h4-8H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole?
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole has a molecular weight of 282.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpyrazole is sourced from PubChem (CID 22771649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).