4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide

C12H15N5O3S — CID 65356183

IUPAC4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H15N5O3S/c1-17-11(10(13)7-14-17)12(18)15-8-3-5-9(6-4-8)16-21(2,19)20/h3-7,16H,13H2,1-2H3,(H,15,18)
InChIKeyXUQBGVBUSZTOJN-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.63
Rot. Bonds4

About 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide

4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 65356183) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID65356183
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H15N5O3S/c1-17-11(10(13)7-14-17)12(18)15-8-3-5-9(6-4-8)16-21(2,19)20/h3-7,16H,13H2,1-2H3,(H,15,18)
InChIKeyXUQBGVBUSZTOJN-UHFFFAOYSA-N
XLogP0.63
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
4-amino-N-[4-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65355685
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
CID 65360004
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359651
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355912
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide
CID 114386738

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide (CID 65356183) is 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is XUQBGVBUSZTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-17-11(10(13)7-14-17)12(18)15-8-3-5-9(6-4-8)16-21(2,19)20/h3-7,16H,13H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65356183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).