[1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C20H25N7O — CID 31126039

About [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

[1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 31126039) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
• PubChem CID: 31126039
• Molecular Formula: C20H25N7O
• Molecular Weight: 379.47 g/mol
• Exact Mass: 379.21
• IUPAC Name: [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
• SMILES: CCCc1ccc(-c2n[nH]c3c2CN(C(=O)c2cn(CCN)nn2)CC3)cc1
• InChI: InChI=1S/C20H25N7O/c1-2-3-14-4-6-15(7-5-14)19-16-12-26(10-8-17(16)22-24-19)20(28)18-13-27(11-9-21)25-23-18/h4-7,13H,2-3,8-12,21H2,1H3,(H,22,24)
• InChIKey: PYVXMQICESLHOA-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.47
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 31126039) is [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is CCCc1ccc(-c2n[nH]c3c2CN(C(=O)c2cn(CCN)nn2)CC3)cc1.

What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The InChIKey is PYVXMQICESLHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-2-3-14-4-6-15(7-5-14)19-16-12-26(10-8-17(16)22-24-19)20(28)18-13-27(11-9-21)25-23-18/h4-7,13H,2-3,8-12,21H2,1H3,(H,22,24).

What are the key properties of [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

[1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 379.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 31126039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).