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

C12H21N3 — CID 134224571

IUPAC3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESCCCC(CC)c1n[nH]c2c1CCNC2
InChIInChI=1S/C12H21N3/c1-3-5-9(4-2)12-10-6-7-13-8-11(10)14-15-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeySRBWILFLWNMYOI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds4

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

3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (PubChem CID 134224571) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
PubChem CID134224571
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESCCCC(CC)c1n[nH]c2c1CCNC2
InChIInChI=1S/C12H21N3/c1-3-5-9(4-2)12-10-6-7-13-8-11(10)14-15-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeySRBWILFLWNMYOI-UHFFFAOYSA-N
XLogP2.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (CID 134224571) is 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is CCCC(CC)c1n[nH]c2c1CCNC2.
What is the InChIKey of 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The InChIKey is SRBWILFLWNMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-5-9(4-2)12-10-6-7-13-8-11(10)14-15-12/h9,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 134224571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).