5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide

C19H19N3O3S — CID 60511850

IUPAC5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-14-12-18(21-22(14)16-6-4-3-5-7-16)19(23)20-13-15-8-10-17(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyLQVJDQNXSHCXTB-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.51
Rot. Bonds5

About 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide

5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 60511850) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID60511850
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-14-12-18(21-22(14)16-6-4-3-5-7-16)19(23)20-13-15-8-10-17(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyLQVJDQNXSHCXTB-UHFFFAOYSA-N
XLogP2.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide (CID 60511850) is 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is LQVJDQNXSHCXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-12-18(21-22(14)16-6-4-3-5-7-16)19(23)20-13-15-8-10-17(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 60511850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).