2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide

C16H20FN3O2 — CID 78865587

IUPAC2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide
SMILESCCCn1nccc1NC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c1-4-11-20-14(9-10-18-20)19-15(21)16(2,3)22-13-7-5-12(17)6-8-13/h5-10H,4,11H2,1-3H3,(H,19,21)
InChIKeyYOBZWJJCFOGISB-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide

2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide (PubChem CID 78865587) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide
PubChem CID78865587
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide
SMILESCCCn1nccc1NC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c1-4-11-20-14(9-10-18-20)19-15(21)16(2,3)22-13-7-5-12(17)6-8-13/h5-10H,4,11H2,1-3H3,(H,19,21)
InChIKeyYOBZWJJCFOGISB-UHFFFAOYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethoxyphenyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 164531783
methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
CID 78851528
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991460
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide
CID 55675906
2-(2-methoxyethylamino)-N-(2-propylpyrazol-3-yl)acetamide;hydrochloride
CID 119719149
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168
2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide
CID 86988869
(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
CID 55778222
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026082

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide (CID 78865587) is 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide is CCCn1nccc1NC(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide?
The InChIKey is YOBZWJJCFOGISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-4-11-20-14(9-10-18-20)19-15(21)16(2,3)22-13-7-5-12(17)6-8-13/h5-10H,4,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide?
2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide has a molecular weight of 305.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide is sourced from PubChem (CID 78865587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).