4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide

C18H24N4O4S — CID 136523477

IUPAC4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H24N4O4S/c1-27(24,25)14-15-2-4-16(5-3-15)18(23)20-17-12-19-22(13-17)7-6-21-8-10-26-11-9-21/h2-5,12-13H,6-11,14H2,1H3,(H,20,23)
InChIKeyCLZRVYQGSCJMNT-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.01
Rot. Bonds7

About 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide

4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (PubChem CID 136523477) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
PubChem CID136523477
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H24N4O4S/c1-27(24,25)14-15-2-4-16(5-3-15)18(23)20-17-12-19-22(13-17)7-6-21-8-10-26-11-9-21/h2-5,12-13H,6-11,14H2,1H3,(H,20,23)
InChIKeyCLZRVYQGSCJMNT-UHFFFAOYSA-N
XLogP1.01
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 167752336
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 27054975
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (CID 136523477) is 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The InChIKey is CLZRVYQGSCJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-27(24,25)14-15-2-4-16(5-3-15)18(23)20-17-12-19-22(13-17)7-6-21-8-10-26-11-9-21/h2-5,12-13H,6-11,14H2,1H3,(H,20,23).
What are the key properties of 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 136523477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).