1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide

C18H20N4O2S — CID 90555118

IUPAC1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2cc(-c3ccncc3)n(C)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-14-4-3-5-15(10-14)13-25(23,24)20-12-17-11-18(22(2)21-17)16-6-8-19-9-7-16/h3-11,20H,12-13H2,1-2H3
InChIKeyKNTVHTIFZKWEQJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.41
Rot. Bonds6

About 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide

1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide (PubChem CID 90555118) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide
PubChem CID90555118
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2cc(-c3ccncc3)n(C)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-14-4-3-5-15(10-14)13-25(23,24)20-12-17-11-18(22(2)21-17)16-6-8-19-9-7-16/h3-11,20H,12-13H2,1-2H3
InChIKeyKNTVHTIFZKWEQJ-UHFFFAOYSA-N
XLogP2.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 90555158
1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318269
1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
CID 110672324
1-(3-methylphenyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353250
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90555441
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide (CID 90555118) is 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)NCc2cc(-c3ccncc3)n(C)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide?
The InChIKey is KNTVHTIFZKWEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-4-3-5-15(10-14)13-25(23,24)20-12-17-11-18(22(2)21-17)16-6-8-19-9-7-16/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide?
1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 90555118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).