N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide

C23H24N4O3S — CID 171140413

IUPACN,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide
SMILESCCCc1[nH]n2c(=O)cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1-c1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-4-8-19-22(17-9-6-5-7-10-17)23-24-20(15-21(28)27(23)25-19)16-11-13-18(14-12-16)31(29,30)26(2)3/h5-7,9-15,25H,4,8H2,1-3H3
InChIKeySTNJNFDQODKNKR-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.56
Rot. Bonds6

About N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide

N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide (PubChem CID 171140413) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide
PubChem CID171140413
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide
SMILESCCCc1[nH]n2c(=O)cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1-c1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-4-8-19-22(17-9-6-5-7-10-17)23-24-20(15-21(28)27(23)25-19)16-11-13-18(14-12-16)31(29,30)26(2)3/h5-7,9-15,25H,4,8H2,1-3H3
InChIKeySTNJNFDQODKNKR-UHFFFAOYSA-N
XLogP3.56
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339995
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10620815
6-[(3,5-difluorophenyl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 53183899
7-[(3,5-difluorophenyl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184075
7-[(4-propylphenyl)sulfonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 87052562
4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 44267704
3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925561
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 53183900
4-{[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]sulfonyl}benzonitrile
CID 53183904
7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184076
3-({8-Oxo-5-phenyl-2,6,7,11-tetraazatricyclo[7.4.0.0(3),]trideca-1(9),2,4-trien-11-YL}sulfonyl)benzonitrile
CID 53184077
N-{5-[2-(2,3-Difluoro-phenyl)-ethyl]-7-hydroxy-pyrazolo[1,5-a]pyrimidine-2-carbonyl}-benzenesulfonamide
CID 66856527

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide (CID 171140413) is N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide is CCCc1[nH]n2c(=O)cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide?
The InChIKey is STNJNFDQODKNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-4-8-19-22(17-9-6-5-7-10-17)23-24-20(15-21(28)27(23)25-19)16-11-13-18(14-12-16)31(29,30)26(2)3/h5-7,9-15,25H,4,8H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide?
N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 171140413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).