4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide

C16H19F3N6O — CID 120810575

About 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide

4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 120810575) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
• PubChem CID: 120810575
• Molecular Formula: C16H19F3N6O
• Molecular Weight: 368.36 g/mol
• Exact Mass: 368.16
• IUPAC Name: 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
• SMILES: O=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(-n2cccn2)ccn1
• InChI: InChI=1S/C16H19F3N6O/c17-16(18,19)14(24-8-5-20-6-9-24)11-22-15(26)13-10-12(2-4-21-13)25-7-1-3-23-25/h1-4,7,10,14,20H,5-6,8-9,11H2,(H,22,26)
• InChIKey: ODBXSSUUAWLGPR-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.36
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide?

The IUPAC name of 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide (CID 120810575) is 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide.

What is the SMILES notation for 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide?

The canonical SMILES for 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(-n2cccn2)ccn1.

What is the InChIKey of 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide?

The InChIKey is ODBXSSUUAWLGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)14(24-8-5-20-6-9-24)11-22-15(26)13-10-12(2-4-21-13)25-7-1-3-23-25/h1-4,7,10,14,20H,5-6,8-9,11H2,(H,22,26).

What are the key properties of 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide?

4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 120810575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).