3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine

C17H21N5O2S — CID 130451656

IUPAC3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNCc1c(C)nc2c(S(=O)(=O)c3ccccc3)c(NC)nn2c1C
InChIInChI=1S/C17H21N5O2S/c1-11-14(10-18-3)12(2)22-17(20-11)15(16(19-4)21-22)25(23,24)13-8-6-5-7-9-13/h5-9,18H,10H2,1-4H3,(H,19,21)
InChIKeyIKIZHXZNCOQEEE-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.94
Rot. Bonds5

About 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine

3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 130451656) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID130451656
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNCc1c(C)nc2c(S(=O)(=O)c3ccccc3)c(NC)nn2c1C
InChIInChI=1S/C17H21N5O2S/c1-11-14(10-18-3)12(2)22-17(20-11)15(16(19-4)21-22)25(23,24)13-8-6-5-7-9-13/h5-9,18H,10H2,1-4H3,(H,19,21)
InChIKeyIKIZHXZNCOQEEE-UHFFFAOYSA-N
XLogP1.94
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46190033
6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189981
3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine;hydrochloride
CID 46189931
6-(aminomethyl)-3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189986
6-(aminomethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 46189984
3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
6-(2-aminoethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189990
3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
CID 56849579
3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 52918031
3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326176
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 91409298
N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine
CID 58357656

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 130451656) is 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine is CNCc1c(C)nc2c(S(=O)(=O)c3ccccc3)c(NC)nn2c1C.
What is the InChIKey of 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is IKIZHXZNCOQEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-14(10-18-3)12(2)22-17(20-11)15(16(19-4)21-22)25(23,24)13-8-6-5-7-9-13/h5-9,18H,10H2,1-4H3,(H,19,21).
What are the key properties of 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 359.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 130451656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).