[1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C19H22FN7O — CID 56739717

About [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

[1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 56739717) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
• PubChem CID: 56739717
• Molecular Formula: C19H22FN7O
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.19
• IUPAC Name: [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
• SMILES: NCCn1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nn1
• InChI: InChI=1S/C19H22FN7O/c20-15-3-1-2-14(10-15)16-11-22-24-18(16)13-4-7-26(8-5-13)19(28)17-12-27(9-6-21)25-23-17/h1-3,10-13H,4-9,21H2,(H,22,24)
• InChIKey: ILCBYYAGICNSGI-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	1.79
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]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 56739717) is [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is NCCn1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nn1.

What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The InChIKey is ILCBYYAGICNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c20-15-3-1-2-14(10-15)16-11-22-24-18(16)13-4-7-26(8-5-13)19(28)17-12-27(9-6-21)25-23-17/h1-3,10-13H,4-9,21H2,(H,22,24).

What are the key properties of [1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

[1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 383.43 g/mol, XLogP of 1.79, 5 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]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 56739717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).