2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid

C15H15F2N3O4 — CID 120524685

IUPAC2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H15F2N3O4/c1-2-24-11-6-4-3-5-10(11)15(16,17)14(23)18-12-7-8-20(19-12)9-13(21)22/h3-8H,2,9H2,1H3,(H,21,22)(H,18,19,23)
InChIKeyAQPDLWGSLJJHCN-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.10
Rot. Bonds7

About 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 120524685) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID120524685
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Name2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H15F2N3O4/c1-2-24-11-6-4-3-5-10(11)15(16,17)14(23)18-12-7-8-20(19-12)9-13(21)22/h3-8H,2,9H2,1H3,(H,21,22)(H,18,19,23)
InChIKeyAQPDLWGSLJJHCN-UHFFFAOYSA-N
XLogP2.10
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]pyrazol-1-yl]acetic acid
CID 119231077
2-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethylsulfanyl]acetic acid
CID 120526528
2-[3-(2-ethoxyphenyl)-1,2,4-triazol-1-yl]acetic acid
CID 82295719
2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid
CID 120519752
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[4-(2-chlorophenoxy)butanoylamino]pyrazol-1-yl]acetic acid
CID 119230619
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231270
2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid
CID 120533300
2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230725
2-[3-[[(E)-3-(2-methoxyphenyl)but-2-enoyl]amino]pyrazol-1-yl]acetic acid
CID 99599792

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid (CID 120524685) is 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid is CCOc1ccccc1C(F)(F)C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is AQPDLWGSLJJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-2-24-11-6-4-3-5-10(11)15(16,17)14(23)18-12-7-8-20(19-12)9-13(21)22/h3-8H,2,9H2,1H3,(H,21,22)(H,18,19,23).
What are the key properties of 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 339.30 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 120524685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).