1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C16H16N4O3S — CID 33159734

IUPAC1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1-n1cccc1
InChIInChI=1S/C16H16N4O3S/c1-19-16(20-8-3-4-9-20)14(11-17-19)15(21)18-12-6-5-7-13(10-12)24(2,22)23/h3-11H,1-2H3,(H,18,21)
InChIKeyBFZJEPXHAAAGMH-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.87
Rot. Bonds4

About 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 33159734) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID33159734
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1-n1cccc1
InChIInChI=1S/C16H16N4O3S/c1-19-16(20-8-3-4-9-20)14(11-17-19)15(21)18-12-6-5-7-13(10-12)24(2,22)23/h3-11H,1-2H3,(H,18,21)
InChIKeyBFZJEPXHAAAGMH-UHFFFAOYSA-N
XLogP1.87
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38005588
1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 38136593
N-(4-acetylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053385
methyl 2-chloro-5-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]benzoate
CID 34163624
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38024054
1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
CID 91236728
1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38105120
N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38004934
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 33159734) is 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1-n1cccc1.
What is the InChIKey of 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is BFZJEPXHAAAGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-19-16(20-8-3-4-9-20)14(11-17-19)15(21)18-12-6-5-7-13(10-12)24(2,22)23/h3-11H,1-2H3,(H,18,21).
What are the key properties of 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 33159734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).