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

C18H23N5O2S — CID 46190034

IUPAC3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23N5O2S/c1-12-15(11-22(4)5)13(2)23-18(20-12)16(17(19-3)21-23)26(24,25)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyLHUGDICTHWDTLM-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.28
Rot. Bonds5

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

3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 46190034) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID46190034
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23N5O2S/c1-12-15(11-22(4)5)13(2)23-18(20-12)16(17(19-3)21-23)26(24,25)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyLHUGDICTHWDTLM-UHFFFAOYSA-N
XLogP2.28
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.28
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
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
N-{3-[(3-Chlorophenyl)sulfonyl]-5,7-dimethylpyrazolo[1,5-A]pyrimidin-2-YL}-N-methylamine
CID 44156626

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 46190034) is 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LHUGDICTHWDTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-15(11-22(4)5)13(2)23-18(20-12)16(17(19-3)21-23)26(24,25)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,19,21).
What are the key properties of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 373.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 46190034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).