3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

C11H15N5O2S — CID 177233004

IUPAC3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1CCN(S(=O)(=O)c1cnn(C)c1)C2
InChIInChI=1S/C11H15N5O2S/c1-8-10-3-4-16(7-11(10)14-13-8)19(17,18)9-5-12-15(2)6-9/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeySHEZOKGFRNRCBN-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.20
Rot. Bonds2

About 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 177233004) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID177233004
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1CCN(S(=O)(=O)c1cnn(C)c1)C2
InChIInChI=1S/C11H15N5O2S/c1-8-10-3-4-16(7-11(10)14-13-8)19(17,18)9-5-12-15(2)6-9/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeySHEZOKGFRNRCBN-UHFFFAOYSA-N
XLogP0.20
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (CID 177233004) is 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is Cc1[nH]nc2c1CCN(S(=O)(=O)c1cnn(C)c1)C2.
What is the InChIKey of 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is SHEZOKGFRNRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8-10-3-4-16(7-11(10)14-13-8)19(17,18)9-5-12-15(2)6-9/h5-6H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 281.34 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methylpyrazol-4-yl)sulfonyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 177233004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).