5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid

C14H15F2N3O4 — CID 119246060

IUPAC5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H15F2N3O4/c1-7-10(8(2)19(18-7)14(15)16)5-12(20)17-6-9-3-4-11(23-9)13(21)22/h3-4,14H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyOOWMRIFOMWUUMM-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.05
Rot. Bonds6

About 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119246060) has the molecular formula C14H15F2N3O4 and a molecular weight of 327.29 g/mol. Its IUPAC name is 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119246060
Molecular FormulaC14H15F2N3O4
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Name5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H15F2N3O4/c1-7-10(8(2)19(18-7)14(15)16)5-12(20)17-6-9-3-4-11(23-9)13(21)22/h3-4,14H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyOOWMRIFOMWUUMM-UHFFFAOYSA-N
XLogP2.05
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 122564412
5-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119245670
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
CID 71883563
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 94815907
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481168
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245798
N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48680946
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]methyl]furan-2-carboxylic acid
CID 119246211
5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 115991264
5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid (CID 119246060) is 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid is Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is OOWMRIFOMWUUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O4/c1-7-10(8(2)19(18-7)14(15)16)5-12(20)17-6-9-3-4-11(23-9)13(21)22/h3-4,14H,5-6H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 327.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).