2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide

C26H23F3N4O — CID 58921234

IUPAC2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)n(C)n1
InChIInChI=1S/C26H23F3N4O/c1-18-15-22(33(2)32-18)24(34)31-25(23-13-6-7-14-30-23,17-19-9-4-3-5-10-19)20-11-8-12-21(16-20)26(27,28)29/h3-16H,17H2,1-2H3,(H,31,34)
InChIKeyKOOCTWRCJNZJFB-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.06
Rot. Bonds6

About 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide (PubChem CID 58921234) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
PubChem CID58921234
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)n(C)n1
InChIInChI=1S/C26H23F3N4O/c1-18-15-22(33(2)32-18)24(34)31-25(23-13-6-7-14-30-23,17-19-9-4-3-5-10-19)20-11-8-12-21(16-20)26(27,28)29/h3-16H,17H2,1-2H3,(H,31,34)
InChIKeyKOOCTWRCJNZJFB-UHFFFAOYSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide (CID 58921234) is 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is KOOCTWRCJNZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c1-18-15-22(33(2)32-18)24(34)31-25(23-13-6-7-14-30-23,17-19-9-4-3-5-10-19)20-11-8-12-21(16-20)26(27,28)29/h3-16H,17H2,1-2H3,(H,31,34).
What are the key properties of 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 58921234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).