N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide

C21H19F3N4O2 — CID 10364579

IUPACN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C21H19F3N4O2/c1-13(25-19(29)11-14-7-9-16(10-8-14)21(22,23)24)20(30)26-18-12-17(27-28-18)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,25,29)(H2,26,27,28,30)
InChIKeyJMBOIPJVQOFZBS-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.78
Rot. Bonds6

About N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide

N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide (PubChem CID 10364579) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
PubChem CID10364579
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C21H19F3N4O2/c1-13(25-19(29)11-14-7-9-16(10-8-14)21(22,23)24)20(30)26-18-12-17(27-28-18)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,25,29)(H2,26,27,28,30)
InChIKeyJMBOIPJVQOFZBS-UHFFFAOYSA-N
XLogP3.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide (CID 10364579) is N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide is CC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The InChIKey is JMBOIPJVQOFZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-13(25-19(29)11-14-7-9-16(10-8-14)21(22,23)24)20(30)26-18-12-17(27-28-18)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide has a molecular weight of 416.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 10364579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).