N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

C15H15F4N3O2 — CID 19539446

IUPACN-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H15F4N3O2/c1-8-7-11(13(16)17)21-22(8)9(2)14(23)20-10-5-3-4-6-12(10)24-15(18)19/h3-7,9,13,15H,1-2H3,(H,20,23)
InChIKeyVZOAARDTYCKADS-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (PubChem CID 19539446) has the molecular formula C15H15F4N3O2 and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
PubChem CID19539446
Molecular FormulaC15H15F4N3O2
Molecular Weight345.30 g/mol
Exact Mass345.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H15F4N3O2/c1-8-7-11(13(16)17)21-22(8)9(2)14(23)20-10-5-3-4-6-12(10)24-15(18)19/h3-7,9,13,15H,1-2H3,(H,20,23)
InChIKeyVZOAARDTYCKADS-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 19539415
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539324
N-(4-bromo-2-fluorophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539341
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534782
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19532090
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 19539387
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 26931332
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19539503
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (CID 19539446) is N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is Cc1cc(C(F)F)nn1C(C)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The InChIKey is VZOAARDTYCKADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2/c1-8-7-11(13(16)17)21-22(8)9(2)14(23)20-10-5-3-4-6-12(10)24-15(18)19/h3-7,9,13,15H,1-2H3,(H,20,23).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide has a molecular weight of 345.30 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is sourced from PubChem (CID 19539446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).