N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23N5O4S — CID 46435358

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H23N5O4S/c1-4-32-20-11-10-17(14-21(20)33(30,31)27(2)3)26-23(29)18-15-25-28-19(12-13-24-22(18)28)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3,(H,26,29)
InChIKeyADIHKVGPXDNURC-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.30
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46435358) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46435358
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H23N5O4S/c1-4-32-20-11-10-17(14-21(20)33(30,31)27(2)3)26-23(29)18-15-25-28-19(12-13-24-22(18)28)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3,(H,26,29)
InChIKeyADIHKVGPXDNURC-UHFFFAOYSA-N
XLogP3.30
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78865898
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664091
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440525
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26421741
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756894
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55853108
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46435358) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ADIHKVGPXDNURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-4-32-20-11-10-17(14-21(20)33(30,31)27(2)3)26-23(29)18-15-25-28-19(12-13-24-22(18)28)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3,(H,26,29).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).