(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C18H24N4O4S — CID 53078819

IUPAC(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C18H24N4O4S/c1-13-17(14(2)20(3)19-13)27(24,25)22-11-9-21(10-12-22)18(23)15-7-5-6-8-16(15)26-4/h5-8H,9-12H2,1-4H3
InChIKeyYJUQPTHXEGJDNV-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.19
Rot. Bonds4

About (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 53078819) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID53078819
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C18H24N4O4S/c1-13-17(14(2)20(3)19-13)27(24,25)22-11-9-21(10-12-22)18(23)15-7-5-6-8-16(15)26-4/h5-8H,9-12H2,1-4H3
InChIKeyYJUQPTHXEGJDNV-UHFFFAOYSA-N
XLogP1.19
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078803
(2,4-dichlorophenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078832
3-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]chromen-2-one
CID 53078770
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 92566809
3-(3,4-dimethoxyphenyl)-1-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 71843475
methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate
CID 110817933
1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684874
[1-(4-methoxyphenyl)cyclopropyl]-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078829
pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 110805442
tert-butyl 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 17380419
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 53078819) is (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is YJUQPTHXEGJDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-17(14(2)20(3)19-13)27(24,25)22-11-9-21(10-12-22)18(23)15-7-5-6-8-16(15)26-4/h5-8H,9-12H2,1-4H3.
What are the key properties of (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 53078819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).