N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C21H20ClF3N4O — CID 39041990

About N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 39041990) has the molecular formula C21H20ClF3N4O and a molecular weight of 436.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 39041990
• Molecular Formula: C21H20ClF3N4O
• Molecular Weight: 436.87 g/mol
• Exact Mass: 436.13
• IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)NCCc2cccc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C21H20ClF3N4O/c1-13(2)19-17(20(30)26-9-8-14-4-3-5-16(22)10-14)12-28-29(19)18-7-6-15(11-27-18)21(23,24)25/h3-7,10-13H,8-9H2,1-2H3,(H,26,30)
• InChIKey: JWVOETDLECEOJQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.87
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 39041990) is N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCCc2cccc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is JWVOETDLECEOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O/c1-13(2)19-17(20(30)26-9-8-14-4-3-5-16(22)10-14)12-28-29(19)18-7-6-15(11-27-18)21(23,24)25/h3-7,10-13H,8-9H2,1-2H3,(H,26,30).

What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39041990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).