2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide

C16H21F2N3O3 — CID 111481168

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)(O)CNC(=O)Cc2c(C)nn(C(F)F)c2C)o1
InChIInChI=1S/C16H21F2N3O3/c1-9-5-6-13(24-9)16(4,23)8-19-14(22)7-12-10(2)20-21(11(12)3)15(17)18/h5-6,15,23H,7-8H2,1-4H3,(H,19,22)
InChIKeyLWXVXFGDWCOZIB-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.36
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide (PubChem CID 111481168) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
PubChem CID111481168
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)(O)CNC(=O)Cc2c(C)nn(C(F)F)c2C)o1
InChIInChI=1S/C16H21F2N3O3/c1-9-5-6-13(24-9)16(4,23)8-19-14(22)7-12-10(2)20-21(11(12)3)15(17)18/h5-6,15,23H,7-8H2,1-4H3,(H,19,22)
InChIKeyLWXVXFGDWCOZIB-UHFFFAOYSA-N
XLogP2.36
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111481633
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246060
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 111481571
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 94815907
2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111520095
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111481535
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(4-nitrophenyl)acetamide
CID 111520064
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 111481297

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide (CID 111481168) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide is Cc1ccc(C(C)(O)CNC(=O)Cc2c(C)nn(C(F)F)c2C)o1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The InChIKey is LWXVXFGDWCOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c1-9-5-6-13(24-9)16(4,23)8-19-14(22)7-12-10(2)20-21(11(12)3)15(17)18/h5-6,15,23H,7-8H2,1-4H3,(H,19,22).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide has a molecular weight of 341.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide is sourced from PubChem (CID 111481168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).