4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide

C13H16N4O3S — CID 65354301

IUPAC4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C13H16N4O3S/c1-8-4-5-9(21(3,19)20)6-11(8)15-13(18)12-10(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyYWOOCOAPPSHEQF-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.97
Rot. Bonds3

About 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide (PubChem CID 65354301) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
PubChem CID65354301
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C13H16N4O3S/c1-8-4-5-9(21(3,19)20)6-11(8)15-13(18)12-10(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyYWOOCOAPPSHEQF-UHFFFAOYSA-N
XLogP0.97
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66481317
4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687596
3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 104741220
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 65355014
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
3-benzyl-N-(2-methyl-5-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 27990833
4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
CID 65354656

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide (CID 65354301) is 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide?
The InChIKey is YWOOCOAPPSHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-4-5-9(21(3,19)20)6-11(8)15-13(18)12-10(14)7-17(2)16-12/h4-7H,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65354301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).