methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate

C17H20FN3O4 — CID 5303480

IUPACmethyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate
SMILESCOC(=O)CCCn1nc(NC(=O)COc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H20FN3O4/c1-12-10-15(20-21(12)9-3-4-17(23)24-2)19-16(22)11-25-14-7-5-13(18)6-8-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20,22)
InChIKeyTZGGMBOTSHYIEF-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.30
Rot. Bonds8

About methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate

methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate (PubChem CID 5303480) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate
PubChem CID5303480
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Namemethyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate
SMILESCOC(=O)CCCn1nc(NC(=O)COc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H20FN3O4/c1-12-10-15(20-21(12)9-3-4-17(23)24-2)19-16(22)11-25-14-7-5-13(18)6-8-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20,22)
InChIKeyTZGGMBOTSHYIEF-UHFFFAOYSA-N
XLogP2.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate with MolForge

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Related Compounds

1H-Pyrazole-1-acetic acid, 3-[[2-(4-fluorophenoxy)acetyl]amino]-, ethyl ester
CID 5303475
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
2-(5-Anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate
CID 2363277
1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195711
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(2-fluorophenoxy)acetamide
CID 135551724
ethyl (3-{[(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate
CID 5303476
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16367550
1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195710
2-(2,5-difluorophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 168287829
ethyl (3-{[(4-fluorophenoxy)acetyl]amino}-5-methyl-1H-pyrazol-1-yl)acetate
CID 6458205
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 45882416
N-(3-(tert-butyl)-1-(2-hydroxyethyl)-1H-pyrazol-5-yl)-2-(2-fluorophenoxy)acetamide
CID 49677484

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate?
The IUPAC name of methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate (CID 5303480) is methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate.
What is the SMILES notation for methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate?
The canonical SMILES for methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate is COC(=O)CCCn1nc(NC(=O)COc2ccc(F)cc2)cc1C.
What is the InChIKey of methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate?
The InChIKey is TZGGMBOTSHYIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-12-10-15(20-21(12)9-3-4-17(23)24-2)19-16(22)11-25-14-7-5-13(18)6-8-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20,22).
What are the key properties of methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate?
methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate has a molecular weight of 349.36 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[2-(4-fluorophenoxy)acetyl]amino]-5-methylpyrazol-1-yl]butanoate is sourced from PubChem (CID 5303480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).