2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C17H21ClN4O4S — CID 19525215

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1Cl
InChIInChI=1S/C17H21ClN4O4S/c1-12-17(18)13(2)22(20-12)11-16(23)19-14-3-5-15(6-4-14)27(24,25)21-7-9-26-10-8-21/h3-6H,7-11H2,1-2H3,(H,19,23)
InChIKeyDRBXKQUGNCPWIL-UHFFFAOYSA-N
MW412.90 g/mol
LogP1.81
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 19525215) has the molecular formula C17H21ClN4O4S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID19525215
Molecular FormulaC17H21ClN4O4S
Molecular Weight412.90 g/mol
Exact Mass412.10
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1Cl
InChIInChI=1S/C17H21ClN4O4S/c1-12-17(18)13(2)22(20-12)11-16(23)19-14-3-5-15(6-4-14)27(24,25)21-7-9-26-10-8-21/h3-6H,7-11H2,1-2H3,(H,19,23)
InChIKeyDRBXKQUGNCPWIL-UHFFFAOYSA-N
XLogP1.81
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55810725
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19523383
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19515729
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55923829
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 55811462
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55811232
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19557798
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4765482
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19525155
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 19525215) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is DRBXKQUGNCPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4S/c1-12-17(18)13(2)22(20-12)11-16(23)19-14-3-5-15(6-4-14)27(24,25)21-7-9-26-10-8-21/h3-6H,7-11H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 412.90 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 19525215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).