N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

C16H18F2N4O2 — CID 19539324

IUPACN-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2nc(C(F)F)cc2C)cc1
InChIInChI=1S/C16H18F2N4O2/c1-9-8-14(15(17)18)21-22(9)10(2)16(24)20-13-6-4-12(5-7-13)19-11(3)23/h4-8,10,15H,1-3H3,(H,19,23)(H,20,24)
InChIKeyWYTFZAQRSHWNMI-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.29
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (PubChem CID 19539324) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
PubChem CID19539324
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC NameN-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2nc(C(F)F)cc2C)cc1
InChIInChI=1S/C16H18F2N4O2/c1-9-8-14(15(17)18)21-22(9)10(2)16(24)20-13-6-4-12(5-7-13)19-11(3)23/h4-8,10,15H,1-3H3,(H,19,23)(H,20,24)
InChIKeyWYTFZAQRSHWNMI-UHFFFAOYSA-N
XLogP3.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 19539415
N-(4-bromo-2-fluorophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539341
N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539446
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 19539387
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19535319
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19539503
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(5-fluorothiophen-2-yl)methylideneamino]propanamide
CID 171130784
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539427
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539444

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (CID 19539324) is N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is CC(=O)Nc1ccc(NC(=O)C(C)n2nc(C(F)F)cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The InChIKey is WYTFZAQRSHWNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-9-8-14(15(17)18)21-22(9)10(2)16(24)20-13-6-4-12(5-7-13)19-11(3)23/h4-8,10,15H,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide has a molecular weight of 336.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is sourced from PubChem (CID 19539324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).