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

C22H21N5O3S — CID 78865898

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H21N5O3S/c1-15-9-10-17(13-20(15)31(29,30)26(2)3)25-22(28)18-14-24-27-19(11-12-23-21(18)27)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,28)
InChIKeyAKHSAAKJYXMSDL-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.21
Rot. Bonds5

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

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 78865898) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID78865898
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H21N5O3S/c1-15-9-10-17(13-20(15)31(29,30)26(2)3)25-22(28)18-14-24-27-19(11-12-23-21(18)27)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,28)
InChIKeyAKHSAAKJYXMSDL-UHFFFAOYSA-N
XLogP3.21
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46435358
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 78877447
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55853108
N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972472
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972126
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
CID 8833006

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 78865898) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AKHSAAKJYXMSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15-9-10-17(13-20(15)31(29,30)26(2)3)25-22(28)18-14-24-27-19(11-12-23-21(18)27)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 78865898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).