3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide

C13H14FN3O2 — CID 32609985

IUPAC3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)CCOc2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O2/c1-17-9-11(8-15-17)16-13(18)6-7-19-12-4-2-10(14)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyXDWKVZOUVBRIII-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.97
Rot. Bonds5

About 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide

3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 32609985) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID32609985
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)CCOc2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O2/c1-17-9-11(8-15-17)16-13(18)6-7-19-12-4-2-10(14)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyXDWKVZOUVBRIII-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-{[(2-fluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507064
N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide
CID 26357859
4-{4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}butanoic acid
CID 6457824
N-(1-methylpyrazol-4-yl)-4-phenoxy-butanamide
CID 145420094
4-(4-{[(4-fluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1505472
4-(4-{[(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507061
N-(4-ethoxyphenyl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide
CID 1512410
N-(4-ethoxyphenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026432
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide
CID 35591540
2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 43074241
1-(1-Ethylpyrazol-4-yl)-3-[3-(3-fluorophenoxy)-2-hydroxypropyl]urea
CID 45831777
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
CID 46971499

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide (CID 32609985) is 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)CCOc2ccc(F)cc2)cn1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is XDWKVZOUVBRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17-9-11(8-15-17)16-13(18)6-7-19-12-4-2-10(14)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,16,18).
What are the key properties of 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide?
3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 263.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 32609985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).