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

C20H21N3O3S — CID 8950882

IUPACN-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-22(13-17-12-21-23(14-17)19-6-4-3-5-7-19)20(24)18-10-8-16(9-11-18)15-27(2,25)26/h3-12,14H,13,15H2,1-2H3
InChIKeyDOAWASSFXWPHMI-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.69
Rot. Bonds6

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

N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 8950882) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID8950882
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-22(13-17-12-21-23(14-17)19-6-4-3-5-7-19)20(24)18-10-8-16(9-11-18)15-27(2,25)26/h3-12,14H,13,15H2,1-2H3
InChIKeyDOAWASSFXWPHMI-UHFFFAOYSA-N
XLogP2.69
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46512897
6-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 17458039
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760063
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
2-chloro-N-methyl-5-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 78820035
4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24504608
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
4-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17497833

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 8950882) is N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DOAWASSFXWPHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22(13-17-12-21-23(14-17)19-6-4-3-5-7-19)20(24)18-10-8-16(9-11-18)15-27(2,25)26/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 8950882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).