2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid

C15H17N3O4 — CID 119230954

IUPAC2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)COCCc2ccccc2)n1
InChIInChI=1S/C15H17N3O4/c19-14(11-22-9-7-12-4-2-1-3-5-12)16-13-6-8-18(17-13)10-15(20)21/h1-6,8H,7,9-11H2,(H,20,21)(H,16,17,19)
InChIKeyCLDVBQCZNKBBFX-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.17
Rot. Bonds8

About 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119230954) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119230954
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)COCCc2ccccc2)n1
InChIInChI=1S/C15H17N3O4/c19-14(11-22-9-7-12-4-2-1-3-5-12)16-13-6-8-18(17-13)10-15(20)21/h1-6,8H,7,9-11H2,(H,20,21)(H,16,17,19)
InChIKeyCLDVBQCZNKBBFX-UHFFFAOYSA-N
XLogP1.17
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230920
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[4-(2-chlorophenoxy)butanoylamino]pyrazol-1-yl]acetic acid
CID 119230619
2-[3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 119231174
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 124570069
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113235

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid (CID 119230954) is 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)COCCc2ccccc2)n1.
What is the InChIKey of 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is CLDVBQCZNKBBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-14(11-22-9-7-12-4-2-1-3-5-12)16-13-6-8-18(17-13)10-15(20)21/h1-6,8H,7,9-11H2,(H,20,21)(H,16,17,19).
What are the key properties of 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).