N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H22F3N5O2 — CID 38046765

About N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 38046765) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 38046765
• Molecular Formula: C22H22F3N5O2
• Molecular Weight: 445.45 g/mol
• Exact Mass: 445.17
• IUPAC Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CNC(=O)Cc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1
• InChI: InChI=1S/C22H22F3N5O2/c1-13(2)20-17(12-28-30(20)18-9-6-15(11-27-18)22(23,24)25)21(32)29-16-7-4-14(5-8-16)10-19(31)26-3/h4-9,11-13H,10H2,1-3H3,(H,26,31)(H,29,32)
• InChIKey: BBCICPZLJZFMHJ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.45
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 38046765) is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CNC(=O)Cc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1.

What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is BBCICPZLJZFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-13(2)20-17(12-28-30(20)18-9-6-15(11-27-18)22(23,24)25)21(32)29-16-7-4-14(5-8-16)10-19(31)26-3/h4-9,11-13H,10H2,1-3H3,(H,26,31)(H,29,32).

What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 38046765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).