2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide

C17H16FN3O3 — CID 71797304

IUPAC2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)COc2ccccc2F)cc1-c1ccco1
InChIInChI=1S/C17H16FN3O3/c1-21-14(16-7-4-8-23-16)9-12(20-21)10-19-17(22)11-24-15-6-3-2-5-13(15)18/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyWCZBLTQUFBWSGQ-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide

2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide (PubChem CID 71797304) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
PubChem CID71797304
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)COc2ccccc2F)cc1-c1ccco1
InChIInChI=1S/C17H16FN3O3/c1-21-14(16-7-4-8-23-16)9-12(20-21)10-19-17(22)11-24-15-6-3-2-5-13(15)18/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyWCZBLTQUFBWSGQ-UHFFFAOYSA-N
XLogP2.51
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Furan-2-yl)-3-methyl-1-phenylpyrazole
CID 708752
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
5-(2-furyl)-1-(4-methoxy-phenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 22240519
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-phenyl-amide
CID 654439
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide (CID 71797304) is 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide is Cn1nc(CNC(=O)COc2ccccc2F)cc1-c1ccco1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The InChIKey is WCZBLTQUFBWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-21-14(16-7-4-8-23-16)9-12(20-21)10-19-17(22)11-24-15-6-3-2-5-13(15)18/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide has a molecular weight of 329.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide is sourced from PubChem (CID 71797304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).