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

C6H9N3 — CID 55208578

IUPAC4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine
SMILESC1CC2=C(CN=N2)CN1
InChIInChI=1S/C6H9N3/c1-2-7-3-5-4-8-9-6(1)5/h7H,1-4H2
InChIKeyMRSDCFVKHNCFSL-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.70
Rot. Bonds

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

4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine (PubChem CID 55208578) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine
PubChem CID55208578
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine
SMILESC1CC2=C(CN=N2)CN1
InChIInChI=1S/C6H9N3/c1-2-7-3-5-4-8-9-6(1)5/h7H,1-4H2
InChIKeyMRSDCFVKHNCFSL-UHFFFAOYSA-N
XLogP0.70
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine (CID 55208578) is 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine is C1CC2=C(CN=N2)CN1.
What is the InChIKey of 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine?
The InChIKey is MRSDCFVKHNCFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-7-3-5-4-8-9-6(1)5/h7H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine?
4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine has a molecular weight of 123.16 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 55208578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).