5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide

C20H26N4O3S — CID 46394947

IUPAC5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C20H26N4O3S/c1-13(2)8-9-22-28(25,26)19-11-16(6-7-18(19)27-5)17-12-21-24-15(4)10-14(3)23-20(17)24/h6-7,10-13,22H,8-9H2,1-5H3
InChIKeyCRGIZKPIBRNFSO-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.35
Rot. Bonds7

About 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide

5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 46394947) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
PubChem CID46394947
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C20H26N4O3S/c1-13(2)8-9-22-28(25,26)19-11-16(6-7-18(19)27-5)17-12-21-24-15(4)10-14(3)23-20(17)24/h6-7,10-13,22H,8-9H2,1-5H3
InChIKeyCRGIZKPIBRNFSO-UHFFFAOYSA-N
XLogP3.35
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 46394970
N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 50838835
N-(2-chloro-6-methylphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 46394961
N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394920
N-[(3,4-diethoxyphenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838627
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-[(3-chlorophenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838604
ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 50838625
N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394915
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680

Frequently Asked Questions

What is the IUPAC name of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide (CID 46394947) is 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide is COc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is CRGIZKPIBRNFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-13(2)8-9-22-28(25,26)19-11-16(6-7-18(19)27-5)17-12-21-24-15(4)10-14(3)23-20(17)24/h6-7,10-13,22H,8-9H2,1-5H3.
What are the key properties of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide?
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 46394947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).