5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide

C12H15ClN6O4S — CID 142363297

IUPAC5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide
SMILESCN(C)c1nn(-c2c(O)cc(S(N)(=O)=O)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C12H15ClN6O4S/c1-18(2)12-8(11(15)21)10(14)19(17-12)9-6(13)3-5(4-7(9)20)24(16,22)23/h3-4,20H,14H2,1-2H3,(H2,15,21)(H2,16,22,23)
InChIKeyFVFIBNZHUCJKTP-UHFFFAOYSA-N
MW374.81 g/mol
LogP-0.37
Rot. Bonds4

About 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide

5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide (PubChem CID 142363297) has the molecular formula C12H15ClN6O4S and a molecular weight of 374.81 g/mol. Its IUPAC name is 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide
PubChem CID142363297
Molecular FormulaC12H15ClN6O4S
Molecular Weight374.81 g/mol
Exact Mass374.06
IUPAC Name5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide
SMILESCN(C)c1nn(-c2c(O)cc(S(N)(=O)=O)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C12H15ClN6O4S/c1-18(2)12-8(11(15)21)10(14)19(17-12)9-6(13)3-5(4-7(9)20)24(16,22)23/h3-4,20H,14H2,1-2H3,(H2,15,21)(H2,16,22,23)
InChIKeyFVFIBNZHUCJKTP-UHFFFAOYSA-N
XLogP-0.37
TPSA170.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
CID 146673780
3,5-dichloro-4-[3-(dimethylamino)-6-[[4-(4-hydroxyphenyl)phenyl]methyl]-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide
CID 137285677
4-[6-[(3-amino-4-fluorophenyl)methyl]-3-(dimethylamino)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-3,5-dichlorobenzenesulfonamide
CID 142363273
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
CID 11314088
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazole-3-carboxamide
CID 22618398
3,5-dichloro-4-[3-(dimethylamino)-4-oxo-6-[(4-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide
CID 137285680
4-[6-[(5-bromo-3-pyridinyl)methyl]-3-(dimethylamino)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-3,5-dichlorobenzenesulfonamide
CID 137316728
3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide
CID 54724220
2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 65388491
1-benzyl-3-[3-[[1-(2,6-dichloro-4-sulfamoylphenyl)-3-(dimethylamino)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]urea
CID 142363316
1-[3-chloro-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylurea
CID 22315556

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide (CID 142363297) is 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide is CN(C)c1nn(-c2c(O)cc(S(N)(=O)=O)cc2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The InChIKey is FVFIBNZHUCJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O4S/c1-18(2)12-8(11(15)21)10(14)19(17-12)9-6(13)3-5(4-7(9)20)24(16,22)23/h3-4,20H,14H2,1-2H3,(H2,15,21)(H2,16,22,23).
What are the key properties of 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide has a molecular weight of 374.81 g/mol, XLogP of -0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-chloro-6-hydroxy-4-sulfamoylphenyl)-3-(dimethylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 142363297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).