N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide

C19H20FN3O2 — CID 122244394

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(C(CNC(=O)Cc2ccc(F)cc2)c2ccco2)n1
InChIInChI=1S/C19H20FN3O2/c1-13-10-14(2)23(22-13)17(18-4-3-9-25-18)12-21-19(24)11-15-5-7-16(20)8-6-15/h3-10,17H,11-12H2,1-2H3,(H,21,24)
InChIKeyNQLUCYHSRALNPB-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 122244394) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID122244394
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(C(CNC(=O)Cc2ccc(F)cc2)c2ccco2)n1
InChIInChI=1S/C19H20FN3O2/c1-13-10-14(2)23(22-13)17(18-4-3-9-25-18)12-21-19(24)11-15-5-7-16(20)8-6-15/h3-10,17H,11-12H2,1-2H3,(H,21,24)
InChIKeyNQLUCYHSRALNPB-UHFFFAOYSA-N
XLogP3.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,4-difluorobenzamide
CID 122244397
2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
CID 122244404
N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265850
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
3-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]propanamide
CID 122265498
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265518
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxybenzamide
CID 122265531

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (CID 122244394) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide is Cc1cc(C)n(C(CNC(=O)Cc2ccc(F)cc2)c2ccco2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is NQLUCYHSRALNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-10-14(2)23(22-13)17(18-4-3-9-25-18)12-21-19(24)11-15-5-7-16(20)8-6-15/h3-10,17H,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 122244394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).