N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide

C26H19F6N3O — CID 56602623

IUPACN-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
SMILESO=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(F)(F)F)cc2)n1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C26H19F6N3O/c27-19-3-1-2-17(12-19)24-14-22(34-35(24)23-7-4-18(5-8-23)26(30,31)32)6-9-25(36)33-15-16-10-20(28)13-21(29)11-16/h1-5,7-8,10-14H,6,9,15H2,(H,33,36)
InChIKeyZCLZSMCGBNBUJZ-UHFFFAOYSA-N
MW503.45 g/mol
LogP6.22
Rot. Bonds7

About N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide

N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide (PubChem CID 56602623) has the molecular formula C26H19F6N3O and a molecular weight of 503.45 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
PubChem CID56602623
Molecular FormulaC26H19F6N3O
Molecular Weight503.45 g/mol
Exact Mass503.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
SMILESO=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(F)(F)F)cc2)n1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C26H19F6N3O/c27-19-3-1-2-17(12-19)24-14-22(34-35(24)23-7-4-18(5-8-23)26(30,31)32)6-9-25(36)33-15-16-10-20(28)13-21(29)11-16/h1-5,7-8,10-14H,6,9,15H2,(H,33,36)
InChIKeyZCLZSMCGBNBUJZ-UHFFFAOYSA-N
XLogP6.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.45
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide (CID 56602623) is N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide is O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(F)(F)F)cc2)n1)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?
The InChIKey is ZCLZSMCGBNBUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6N3O/c27-19-3-1-2-17(12-19)24-14-22(34-35(24)23-7-4-18(5-8-23)26(30,31)32)6-9-25(36)33-15-16-10-20(28)13-21(29)11-16/h1-5,7-8,10-14H,6,9,15H2,(H,33,36).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?
N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide has a molecular weight of 503.45 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 56602623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).