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

C25H19F3N4O2 — CID 56670354

IUPAC3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C25H19F3N4O2/c26-25(27,28)23-14-20(15-5-10-19-18-3-1-2-4-21(18)34-22(19)13-15)32(31-23)17-8-6-16(7-9-17)30-24(33)11-12-29/h1-10,13-14H,11-12,29H2,(H,30,33)
InChIKeyXUVXZOIYCNUTAR-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.74
Rot. Bonds5

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

3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide (PubChem CID 56670354) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
PubChem CID56670354
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C25H19F3N4O2/c26-25(27,28)23-14-20(15-5-10-19-18-3-1-2-4-21(18)34-22(19)13-15)32(31-23)17-8-6-16(7-9-17)30-24(33)11-12-29/h1-10,13-14H,11-12,29H2,(H,30,33)
InChIKeyXUVXZOIYCNUTAR-UHFFFAOYSA-N
XLogP5.74
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-dibenzofuran-3-yl-3-(2-fluorophenyl)propanamide
CID 100553789
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4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
CID 159710404
N-methyl-4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline
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4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303302
2-(methylamino)-N-[4-[2-phenanthren-2-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide
CID 134231263
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide (CID 56670354) is 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide is NCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The InChIKey is XUVXZOIYCNUTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c26-25(27,28)23-14-20(15-5-10-19-18-3-1-2-4-21(18)34-22(19)13-15)32(31-23)17-8-6-16(7-9-17)30-24(33)11-12-29/h1-10,13-14H,11-12,29H2,(H,30,33).
What are the key properties of 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide has a molecular weight of 464.45 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 56670354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).