4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide

C14H16FN3O2 — CID 110473898

IUPAC4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide
SMILESCn1nccc1NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C14H16FN3O2/c1-18-13(8-9-16-18)17-14(19)7-4-10-20-12-6-3-2-5-11(12)15/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,19)
InChIKeyPLMGBZZCEGSBQD-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.36
Rot. Bonds6

About 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide

4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide (PubChem CID 110473898) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide
PubChem CID110473898
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide
SMILESCn1nccc1NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C14H16FN3O2/c1-18-13(8-9-16-18)17-14(19)7-4-10-20-12-6-3-2-5-11(12)15/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,19)
InChIKeyPLMGBZZCEGSBQD-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.36
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

7-amino-N-(2-methylpyrazol-3-yl)heptanamide
CID 119708048
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 52714969
2-[4-[4-(2-fluorophenoxy)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697596
2-(2-methoxyphenyl)-N-(2-methylpyrazol-3-yl)acetamide
CID 112536636
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022419
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
CID 55960129
N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022496
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide (CID 110473898) is 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide is Cn1nccc1NC(=O)CCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide?
The InChIKey is PLMGBZZCEGSBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-18-13(8-9-16-18)17-14(19)7-4-10-20-12-6-3-2-5-11(12)15/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,19).
What are the key properties of 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide?
4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide has a molecular weight of 277.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 110473898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).