N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide

C15H19N3O3S — CID 31846208

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H19N3O3S/c1-17(9-13-8-16-18(2)10-13)15(19)14-6-4-12(5-7-14)11-22(3,20)21/h4-8,10H,9,11H2,1-3H3
InChIKeyCNVBFDSZXFFTPZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.24
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 31846208) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID31846208
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H19N3O3S/c1-17(9-13-8-16-18(2)10-13)15(19)14-6-4-12(5-7-14)11-22(3,20)21/h4-8,10H,9,11H2,1-3H3
InChIKeyCNVBFDSZXFFTPZ-UHFFFAOYSA-N
XLogP1.24
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
US10023592, Example 44
CID 118021930
US10617680, Example 37
CID 135355130
US10617680, Example 168
CID 135355552
4-formyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 146636220
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 16312708
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 16328922
4-[(4-Bromopyrazolyl)methyl]phenyl 4-(ethylsulfonyl)piperazinyl ketone
CID 19584923
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843019
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 31853284
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide (CID 31846208) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is CNVBFDSZXFFTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-17(9-13-8-16-18(2)10-13)15(19)14-6-4-12(5-7-14)11-22(3,20)21/h4-8,10H,9,11H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 31846208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).