3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

C7H11N3S — CID 83871802

IUPAC3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESCSc1n[nH]c2c1CCNC2
InChIInChI=1S/C7H11N3S/c1-11-7-5-2-3-8-4-6(5)9-10-7/h8H,2-4H2,1H3,(H,9,10)
InChIKeyMGHQLKFNPLADKK-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.78
Rot. Bonds1

About 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (PubChem CID 83871802) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
PubChem CID83871802
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESCSc1n[nH]c2c1CCNC2
InChIInChI=1S/C7H11N3S/c1-11-7-5-2-3-8-4-6(5)9-10-7/h8H,2-4H2,1H3,(H,9,10)
InChIKeyMGHQLKFNPLADKK-UHFFFAOYSA-N
XLogP0.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (CID 83871802) is 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is CSc1n[nH]c2c1CCNC2.
What is the InChIKey of 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The InChIKey is MGHQLKFNPLADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-11-7-5-2-3-8-4-6(5)9-10-7/h8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine has a molecular weight of 169.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 83871802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).