3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine

C13H12N4O2S — CID 53319628

IUPAC3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2cccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N4O2S/c1-14-12-11(13-15-8-5-9-17(13)16-12)20(18,19)10-6-3-2-4-7-10/h2-9H,1H3,(H,14,16)
InChIKeyCMMVQEMVPHMYAX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.60
Rot. Bonds3

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

3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 53319628) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID53319628
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2cccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N4O2S/c1-14-12-11(13-15-8-5-9-17(13)16-12)20(18,19)10-6-3-2-4-7-10/h2-9H,1H3,(H,14,16)
InChIKeyCMMVQEMVPHMYAX-UHFFFAOYSA-N
XLogP1.60
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Methyl-(3-phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]-pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
N-Methyl-(3-phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
(5-Chloropyrazolo(1,5-a)Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine
CID 5287989
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
AVN-322 free base
CID 44476436
4-(benzenesulfonyl)-N,11-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-amine
CID 44476607
N,5,7-trimethyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
N-[6-Amino-5,7-dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-A]pyrimidin-2-YL]-N-methylamine
CID 46189932
N-[6-(Aminomethyl)-5,7-dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-A]pyrimidin-2-YL]-N-methylamine
CID 46189935
N-Methyl-N-[7-methyl-3-(phenylsulfonyl)pyrazolo[1,5-A]pyrimidin-2-YL]amine
CID 53326176

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine (CID 53319628) is 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2cccnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is CMMVQEMVPHMYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-14-12-11(13-15-8-5-9-17(13)16-12)20(18,19)10-6-3-2-4-7-10/h2-9H,1H3,(H,14,16).
What are the key properties of 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 288.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 53319628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).