methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate

C14H13F2N3O3 — CID 84592077

IUPACmethyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O3/c1-22-14(21)13(10-3-2-8(15)6-11(10)16)18-12(20)7-9-4-5-17-19-9/h2-6,13H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyISKYJPYLSFYJLO-UHFFFAOYSA-N
MW309.27 g/mol
LogP1.26
Rot. Bonds5

About methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate

methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate (PubChem CID 84592077) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate
PubChem CID84592077
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Namemethyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O3/c1-22-14(21)13(10-3-2-8(15)6-11(10)16)18-12(20)7-9-4-5-17-19-9/h2-6,13H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyISKYJPYLSFYJLO-UHFFFAOYSA-N
XLogP1.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-(2,4-difluorophenyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetate
CID 97062441
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate
CID 97084431
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477656
methyl 2-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892520
(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid
CID 97259424
methyl (2R)-2-(2,4-difluorophenyl)-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]acetate
CID 97247312
4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139491
(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid
CID 107821081
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
CID 75519842
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate (CID 84592077) is methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate is COC(=O)C(NC(=O)Cc1ccn[nH]1)c1ccc(F)cc1F.
What is the InChIKey of methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate?
The InChIKey is ISKYJPYLSFYJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c1-22-14(21)13(10-3-2-8(15)6-11(10)16)18-12(20)7-9-4-5-17-19-9/h2-6,13H,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate?
methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate has a molecular weight of 309.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate is sourced from PubChem (CID 84592077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).