4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate

C15H14F2N3O4- — CID 6987805

IUPAC4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate
SMILESO=C([O-])CCCn1cc(NC(=O)COc2ccc(F)cc2F)cn1
InChIInChI=1S/C15H15F2N3O4/c16-10-3-4-13(12(17)6-10)24-9-14(21)19-11-7-18-20(8-11)5-1-2-15(22)23/h3-4,6-8H,1-2,5,9H2,(H,19,21)(H,22,23)/p-1
InChIKeyJYQMZOBNRTYWFJ-UHFFFAOYSA-M
MW338.29 g/mol
LogP0.71
Rot. Bonds8

About 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate

4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate (PubChem CID 6987805) has the molecular formula C15H14F2N3O4- and a molecular weight of 338.29 g/mol. Its IUPAC name is 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate.

Molecular Properties

Compound Name4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate
PubChem CID6987805
Molecular FormulaC15H14F2N3O4-
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate
SMILESO=C([O-])CCCn1cc(NC(=O)COc2ccc(F)cc2F)cn1
InChIInChI=1S/C15H15F2N3O4/c16-10-3-4-13(12(17)6-10)24-9-14(21)19-11-7-18-20(8-11)5-1-2-15(22)23/h3-4,6-8H,1-2,5,9H2,(H,19,21)(H,22,23)/p-1
InChIKeyJYQMZOBNRTYWFJ-UHFFFAOYSA-M
XLogP0.71
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate with MolForge

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Related Compounds

4-[4-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]pyrazol-1-yl]butanoate
CID 6987802
2-(2-chloro-4-fluorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]acetamide
CID 49088411
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate
CID 7298444
4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
CID 7309764
N-(3-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 17173171
1-[4-(2,4-difluorophenoxy)butanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882164
2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 61018494
5-[(2,4-difluorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19453344
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715
2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 134701485
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 49087528

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate?
The IUPAC name of 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate (CID 6987805) is 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate.
What is the SMILES notation for 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate?
The canonical SMILES for 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate is O=C([O-])CCCn1cc(NC(=O)COc2ccc(F)cc2F)cn1.
What is the InChIKey of 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate?
The InChIKey is JYQMZOBNRTYWFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15F2N3O4/c16-10-3-4-13(12(17)6-10)24-9-14(21)19-11-7-18-20(8-11)5-1-2-15(22)23/h3-4,6-8H,1-2,5,9H2,(H,19,21)(H,22,23)/p-1.
What are the key properties of 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate?
4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate has a molecular weight of 338.29 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate is sourced from PubChem (CID 6987805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).