5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide

C20H27N5O3S — CID 178179234

IUPAC5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccn3nc(N)c(C(C)C)c3n2)ccc1OC
InChIInChI=1S/C20H27N5O3S/c1-6-24(7-2)29(26,27)17-12-14(8-9-16(17)28-5)15-10-11-25-20(22-15)18(13(3)4)19(21)23-25/h8-13H,6-7H2,1-5H3,(H2,21,23)
InChIKeyMBXKNLFFNRTIRR-UHFFFAOYSA-N
MW417.54 g/mol
LogP3.14
Rot. Bonds7

About 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide

5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide (PubChem CID 178179234) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
PubChem CID178179234
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccn3nc(N)c(C(C)C)c3n2)ccc1OC
InChIInChI=1S/C20H27N5O3S/c1-6-24(7-2)29(26,27)17-12-14(8-9-16(17)28-5)15-10-11-25-20(22-15)18(13(3)4)19(21)23-25/h8-13H,6-7H2,1-5H3,(H2,21,23)
InChIKeyMBXKNLFFNRTIRR-UHFFFAOYSA-N
XLogP3.14
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 178179256
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 178179248
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072188
3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide
CID 178179257
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371
[2-(4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072245
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
(3S)-7-[3-(diethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-(3-methylbutanoyl)-2,3-dihydroquinoxaline-1-carboxylic acid
CID 146313027
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 31197087
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 123852801
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512574

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide (CID 178179234) is 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2ccn3nc(N)c(C(C)C)c3n2)ccc1OC.
What is the InChIKey of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The InChIKey is MBXKNLFFNRTIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-6-24(7-2)29(26,27)17-12-14(8-9-16(17)28-5)15-10-11-25-20(22-15)18(13(3)4)19(21)23-25/h8-13H,6-7H2,1-5H3,(H2,21,23).
What are the key properties of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide has a molecular weight of 417.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 178179234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).