4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide

C23H25F3N4O — CID 44763218

IUPAC4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)cc1
InChIInChI=1S/C23H25F3N4O/c1-14(2)11-15(3)28-22(31)16-7-9-19(10-8-16)30-21(27)13-20(29-30)17-5-4-6-18(12-17)23(24,25)26/h4-10,12-15H,11,27H2,1-3H3,(H,28,31)
InChIKeyWBDVIACPUJKNQU-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.30
Rot. Bonds6

About 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide

4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide (PubChem CID 44763218) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
PubChem CID44763218
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)cc1
InChIInChI=1S/C23H25F3N4O/c1-14(2)11-15(3)28-22(31)16-7-9-19(10-8-16)30-21(27)13-20(29-30)17-5-4-6-18(12-17)23(24,25)26/h4-10,12-15H,11,27H2,1-3H3,(H,28,31)
InChIKeyWBDVIACPUJKNQU-UHFFFAOYSA-N
XLogP5.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide (CID 44763218) is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1ccc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)cc1.
What is the InChIKey of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is WBDVIACPUJKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-14(2)11-15(3)28-22(31)16-7-9-19(10-8-16)30-21(27)13-20(29-30)17-5-4-6-18(12-17)23(24,25)26/h4-10,12-15H,11,27H2,1-3H3,(H,28,31).
What are the key properties of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 430.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 44763218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).