N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide

C18H23BrN4O4S — CID 46345192

IUPACN-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H23BrN4O4S/c1-13-18(28(25,26)22-8-10-27-11-9-22)14(2)23(21-13)7-6-17(24)20-16-5-3-4-15(19)12-16/h3-5,12H,6-11H2,1-2H3,(H,20,24)
InChIKeyUSRULSNABQUXTK-UHFFFAOYSA-N
MW471.38 g/mol
LogP2.31
Rot. Bonds6

About N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide

N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide (PubChem CID 46345192) has the molecular formula C18H23BrN4O4S and a molecular weight of 471.38 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
PubChem CID46345192
Molecular FormulaC18H23BrN4O4S
Molecular Weight471.38 g/mol
Exact Mass470.06
IUPAC NameN-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H23BrN4O4S/c1-13-18(28(25,26)22-8-10-27-11-9-22)14(2)23(21-13)7-6-17(24)20-16-5-3-4-15(19)12-16/h3-5,12H,6-11H2,1-2H3,(H,20,24)
InChIKeyUSRULSNABQUXTK-UHFFFAOYSA-N
XLogP2.31
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 46345139
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140
N-(3-acetylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345123
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345049
N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
CID 24582052
N-[[4-(dimethylamino)phenyl]methyl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345195
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 46345015
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19557798
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propan-1-one
CID 46345151
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92710870
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29436303

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide (CID 46345192) is N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide?
The InChIKey is USRULSNABQUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O4S/c1-13-18(28(25,26)22-8-10-27-11-9-22)14(2)23(21-13)7-6-17(24)20-16-5-3-4-15(19)12-16/h3-5,12H,6-11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide?
N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide has a molecular weight of 471.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46345192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).