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

C14H15N5O2S — CID 56655504

IUPAC3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15N5O2S/c1-9-8-11(15)19-14(17-9)12(13(16-2)18-19)22(20,21)10-6-4-3-5-7-10/h3-8H,15H2,1-2H3,(H,16,18)
InChIKeyUKQMQTGGUNTZKM-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.49
Rot. Bonds3

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

3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (PubChem CID 56655504) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
PubChem CID56655504
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15N5O2S/c1-9-8-11(15)19-14(17-9)12(13(16-2)18-19)22(20,21)10-6-4-3-5-7-10/h3-8H,15H2,1-2H3,(H,16,18)
InChIKeyUKQMQTGGUNTZKM-UHFFFAOYSA-N
XLogP1.49
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The IUPAC name of 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (CID 56655504) is 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The canonical SMILES for 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is CNc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The InChIKey is UKQMQTGGUNTZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-9-8-11(15)19-14(17-9)12(13(16-2)18-19)22(20,21)10-6-4-3-5-7-10/h3-8H,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine has a molecular weight of 317.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is sourced from PubChem (CID 56655504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).