3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

C19H25N5O2S — CID 46190041

IUPAC3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CCN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N5O2S/c1-13-16(11-12-23(4)5)14(2)24-19(21-13)17(18(20-3)22-24)27(25,26)15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3,(H,20,22)
InChIKeyDXJVLOZKCVBNKK-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.32
Rot. Bonds6

About 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 46190041) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID46190041
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CCN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N5O2S/c1-13-16(11-12-23(4)5)14(2)24-19(21-13)17(18(20-3)22-24)27(25,26)15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3,(H,20,22)
InChIKeyDXJVLOZKCVBNKK-UHFFFAOYSA-N
XLogP2.32
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Avn-492
CID 56655571
N-Methyl-(3-phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]-pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
N,5-Dimethyl-3-(phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156752
N-Methyl-(3-phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N,5-Dimethyl-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo-[1,5-a]quinazolin-2-amine
CID 44156756
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
N,9-Dimethyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo-[5,1-b]quinazolin-2-amine
CID 46867521
10-(Benzenesulfonyl)-11-methylsulfanyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 6918479
2-(Methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
CID 44155107
5-Methyl-2-methylsulfanyl-3-phenylsulfonyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
CID 44155109
N-{3-[(4-Fluorophenyl)sulfonyl]-5,7-dimethylpyrazolo[1,5-A]pyrimidin-2-YL}-N-methylamine
CID 44156622
N-{3-[(3-Fluorophenyl)sulfonyl]-5,7-dimethylpyrazolo[1,5-A]pyrimidin-2-YL}-N-methylamine
CID 44156624

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 46190041) is 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)c(CCN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is DXJVLOZKCVBNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-13-16(11-12-23(4)5)14(2)24-19(21-13)17(18(20-3)22-24)27(25,26)15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3,(H,20,22).
What are the key properties of 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 387.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-[2-(dimethylamino)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 46190041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).