N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

C22H18F3N5O — CID 175984618

About N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 175984618) has the molecular formula C22H18F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
• PubChem CID: 175984618
• Molecular Formula: C22H18F3N5O
• Molecular Weight: 427.43 g/mol
• Exact Mass: 427.16
• IUPAC Name: N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
• SMILES: [2H]C([2H])(C(=O)Nc1ccn(Cc2ccc(C#N)cn2)n1)c1ccc(C2(C(F)(F)F)CC2)cc1
• InChI: InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)/i11D2
• InChIKey: LSYANGLAZUZYFX-ZWGOZCLVSA-N
• XLogP: 3.97
• TPSA: 83.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.43
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?

The IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 175984618) is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

What is the SMILES notation for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?

The canonical SMILES for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is [2H]C([2H])(C(=O)Nc1ccn(Cc2ccc(C#N)cn2)n1)c1ccc(C2(C(F)(F)F)CC2)cc1.

What is the InChIKey of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?

The InChIKey is LSYANGLAZUZYFX-ZWGOZCLVSA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)/i11D2.

What are the key properties of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 427.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 175984618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).