3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C18H25N3O — CID 110538604

About 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110538604) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
• PubChem CID: 110538604
• Molecular Formula: C18H25N3O
• Molecular Weight: 299.42 g/mol
• Exact Mass: 299.20
• IUPAC Name: 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
• SMILES: CCCN1CCc2[nH]nc(-c3cccc(OC(C)C)c3)c2C1
• InChI: InChI=1S/C18H25N3O/c1-4-9-21-10-8-17-16(12-21)18(20-19-17)14-6-5-7-15(11-14)22-13(2)3/h5-7,11,13H,4,8-10,12H2,1-3H3,(H,19,20)
• InChIKey: CGSLUIOQNRVUMS-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 41.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.42
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

The IUPAC name of 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110538604) is 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCN1CCc2[nH]nc(-c3cccc(OC(C)C)c3)c2C1.

What is the InChIKey of 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

The InChIKey is CGSLUIOQNRVUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-9-21-10-8-17-16(12-21)18(20-19-17)14-6-5-7-15(11-14)22-13(2)3/h5-7,11,13H,4,8-10,12H2,1-3H3,(H,19,20).

What are the key properties of 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 299.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).