3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H29N3 — CID 46999232

IUPAC3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCCC(CC)CN1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C17H29N3/c1-3-5-6-13(4-2)11-20-10-9-16-15(12-20)17(19-18-16)14-7-8-14/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyAGWVLOOTXYONRL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.86
Rot. Bonds7

About 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 46999232) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID46999232
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCCC(CC)CN1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C17H29N3/c1-3-5-6-13(4-2)11-20-10-9-16-15(12-20)17(19-18-16)14-7-8-14/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyAGWVLOOTXYONRL-UHFFFAOYSA-N
XLogP3.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 46999232) is 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCCC(CC)CN1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is AGWVLOOTXYONRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-6-13(4-2)11-20-10-9-16-15(12-20)17(19-18-16)14-7-8-14/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 275.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-ethylhexyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 46999232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).