3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine

C16H19N5O2S — CID 56849579

IUPAC3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(N(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19N5O2S/c1-11-10-13(20(3)4)21-16(18-11)14(15(17-2)19-21)24(22,23)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,19)
InChIKeyVTYIBGLMBMJTCK-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.98
Rot. Bonds4

About 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine

3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (PubChem CID 56849579) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
PubChem CID56849579
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(N(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19N5O2S/c1-11-10-13(20(3)4)21-16(18-11)14(15(17-2)19-21)24(22,23)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,19)
InChIKeyVTYIBGLMBMJTCK-UHFFFAOYSA-N
XLogP1.98
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 52918031
3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46190033
3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine;hydrochloride
CID 46189931
3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326176
3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451656
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 91409298
[3-(3-fluorophenyl)sulfonyl-5-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 58357673
3-(benzenesulfonyl)-7-[2-(dimethylamino)ethyl]-2-N,6-N-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2,6-diamine
CID 142758108
6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189981
3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
CID 130451708
3-(3-chloro-4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326178

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The IUPAC name of 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (CID 56849579) is 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The canonical SMILES for 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is CNc1nn2c(N(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The InChIKey is VTYIBGLMBMJTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-10-13(20(3)4)21-16(18-11)14(15(17-2)19-21)24(22,23)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,19).
What are the key properties of 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine has a molecular weight of 345.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is sourced from PubChem (CID 56849579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).