2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide

C17H16FN3O2 — CID 71797296

IUPAC2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(F)cc2)cc1-c1ccco1
InChIInChI=1S/C17H16FN3O2/c1-21-15(16-3-2-8-23-16)10-14(20-21)11-19-17(22)9-12-4-6-13(18)7-5-12/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyWJITWKMSWVZBLS-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.68
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide (PubChem CID 71797296) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
PubChem CID71797296
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(F)cc2)cc1-c1ccco1
InChIInChI=1S/C17H16FN3O2/c1-21-15(16-3-2-8-23-16)10-14(20-21)11-19-17(22)9-12-4-6-13(18)7-5-12/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyWJITWKMSWVZBLS-UHFFFAOYSA-N
XLogP2.68
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide (CID 71797296) is 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide is Cn1nc(CNC(=O)Cc2ccc(F)cc2)cc1-c1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The InChIKey is WJITWKMSWVZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-21-15(16-3-2-8-23-16)10-14(20-21)11-19-17(22)9-12-4-6-13(18)7-5-12/h2-8,10H,9,11H2,1H3,(H,19,22).
What are the key properties of 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide is sourced from PubChem (CID 71797296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).