2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C15H15F2N3O3 — CID 120696427

IUPAC2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)Cc2cc(F)ccc2F)cn1
InChIInChI=1S/C15H15F2N3O3/c1-15(2,14(22)23)20-8-11(7-18-20)19-13(21)6-9-5-10(16)3-4-12(9)17/h3-5,7-8H,6H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyGGUHOOABLMFFIX-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696427) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696427
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)Cc2cc(F)ccc2F)cn1
InChIInChI=1S/C15H15F2N3O3/c1-15(2,14(22)23)20-8-11(7-18-20)19-13(21)6-9-5-10(16)3-4-12(9)17/h3-5,7-8H,6H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyGGUHOOABLMFFIX-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609
2-[4-[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696897
2-[4-[4-(2-fluorophenoxy)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697596
N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide
CID 171646076
2-[4-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697343
2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696665
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696919
2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696694
2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 122108719
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696427) is 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)Cc2cc(F)ccc2F)cn1.
What is the InChIKey of 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is GGUHOOABLMFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-15(2,14(22)23)20-8-11(7-18-20)19-13(21)6-9-5-10(16)3-4-12(9)17/h3-5,7-8H,6H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 323.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).