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

C15H15F2N3O3 — CID 120696427

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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