N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide

C17H21FN4O2 — CID 155951854

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccccc2F)nn1C(C)C
InChIInChI=1S/C17H21FN4O2/c1-11(2)22-12(3)10-15(21-22)20-17(24)16(23)19-9-8-13-6-4-5-7-14(13)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyFKENWEPXGOFSBB-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide

N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide (PubChem CID 155951854) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide
PubChem CID155951854
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccccc2F)nn1C(C)C
InChIInChI=1S/C17H21FN4O2/c1-11(2)22-12(3)10-15(21-22)20-17(24)16(23)19-9-8-13-6-4-5-7-14(13)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyFKENWEPXGOFSBB-UHFFFAOYSA-N
XLogP2.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985279
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
CID 108985301
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
methyl 3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985257
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide
CID 171132579
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide (CID 155951854) is N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCCc2ccccc2F)nn1C(C)C.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide?
The InChIKey is FKENWEPXGOFSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11(2)22-12(3)10-15(21-22)20-17(24)16(23)19-9-8-13-6-4-5-7-14(13)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide has a molecular weight of 332.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide is sourced from PubChem (CID 155951854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).