3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine

C11H15N5 — CID 84682992

IUPAC3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
SMILESc1cc2n[nH]c(CN3CCNCC3)c2cn1
InChIInChI=1S/C11H15N5/c1-2-13-7-9-10(1)14-15-11(9)8-16-5-3-12-4-6-16/h1-2,7,12H,3-6,8H2,(H,14,15)
InChIKeyRVWJERWRWQOQQG-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.36
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine

3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 84682992) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
PubChem CID84682992
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
SMILESc1cc2n[nH]c(CN3CCNCC3)c2cn1
InChIInChI=1S/C11H15N5/c1-2-13-7-9-10(1)14-15-11(9)8-16-5-3-12-4-6-16/h1-2,7,12H,3-6,8H2,(H,14,15)
InChIKeyRVWJERWRWQOQQG-UHFFFAOYSA-N
XLogP0.36
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine (CID 84682992) is 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine is c1cc2n[nH]c(CN3CCNCC3)c2cn1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is RVWJERWRWQOQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-13-7-9-10(1)14-15-11(9)8-16-5-3-12-4-6-16/h1-2,7,12H,3-6,8H2,(H,14,15).
What are the key properties of 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine?
3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 217.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 84682992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).