5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

C15H17N5O2S — CID 56655505

IUPAC5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N5O2S/c1-10-8-11(9-16)18-15-13(14(17-2)19-20(10)15)23(21,22)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyGWWFSXJFBCDURI-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.37
Rot. Bonds4

About 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 56655505) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID56655505
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N5O2S/c1-10-8-11(9-16)18-15-13(14(17-2)19-20(10)15)23(21,22)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyGWWFSXJFBCDURI-UHFFFAOYSA-N
XLogP1.37
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
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
5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 11488074
4-(5-Diethylamino-[1,2,4]triazolo[1,5-a]pyrimidine-7-ylamino)-benzenesulfonamide
CID 23645577
Triazolo[1,5-a]pyrimidine 16
CID 23645580
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
N-{3-[(4-Fluorophenyl)sulfonyl]-5,7-dimethylpyrazolo[1,5-A]pyrimidin-2-YL}-N-methylamine
CID 44156622

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 56655505) is 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is GWWFSXJFBCDURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10-8-11(9-16)18-15-13(14(17-2)19-20(10)15)23(21,22)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19).
What are the key properties of 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 331.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 56655505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).