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

C12H13N3 — CID 6501606

IUPAC3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-5,13H,6-8H2,(H,14,15)
InChIKeyTZFHJMGEXWVRKQ-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.72
Rot. Bonds1

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

3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 6501606) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID6501606
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-5,13H,6-8H2,(H,14,15)
InChIKeyTZFHJMGEXWVRKQ-UHFFFAOYSA-N
XLogP1.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 6501606) is 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is c1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is TZFHJMGEXWVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-5,13H,6-8H2,(H,14,15).
What are the key properties of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 199.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 6501606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).