4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide

C16H20FN3O2 — CID 52717221

IUPAC4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
SMILESCC(C)n1nccc1NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-12(2)20-15(8-9-18-20)19-16(21)7-4-10-22-14-6-3-5-13(17)11-14/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,21)
InChIKeyFFWZEMZPWHVZGR-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.40
Rot. Bonds7

About 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide

4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide (PubChem CID 52717221) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
PubChem CID52717221
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
SMILESCC(C)n1nccc1NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-12(2)20-15(8-9-18-20)19-16(21)7-4-10-22-14-6-3-5-13(17)11-14/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,21)
InChIKeyFFWZEMZPWHVZGR-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 52714970
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
(2S)-2-[4-(3-fluorophenoxy)butanoylamino]-3-methylbutanoic acid
CID 119359981
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 86977217
2-[4-(3-fluorophenoxy)butanoylamino]-3-methylpentanoic acid
CID 119211432
4-(3-fluorophenoxy)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]butanamide
CID 95777428
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
CID 55973897

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide (CID 52717221) is 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide is CC(C)n1nccc1NC(=O)CCCOc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
The InChIKey is FFWZEMZPWHVZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-12(2)20-15(8-9-18-20)19-16(21)7-4-10-22-14-6-3-5-13(17)11-14/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,21).
What are the key properties of 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide has a molecular weight of 305.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide is sourced from PubChem (CID 52717221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).