2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid

C13H13N3O5 — CID 61018494

IUPAC2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)COc2ccccc2O)cn1
InChIInChI=1S/C13H13N3O5/c17-10-3-1-2-4-11(10)21-8-12(18)15-9-5-14-16(6-9)7-13(19)20/h1-6,17H,7-8H2,(H,15,18)(H,19,20)
InChIKeyXZYIATCIZFVPPP-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.69
Rot. Bonds6

About 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 61018494) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID61018494
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)COc2ccccc2O)cn1
InChIInChI=1S/C13H13N3O5/c17-10-3-1-2-4-11(10)21-8-12(18)15-9-5-14-16(6-9)7-13(19)20/h1-6,17H,7-8H2,(H,15,18)(H,19,20)
InChIKeyXZYIATCIZFVPPP-UHFFFAOYSA-N
XLogP0.69
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
2-(2-cyanophenoxy)-N-(1-ethylpyrazol-4-yl)acetamide
CID 43429912
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[[2-(2-chlorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetic acid
CID 61017710
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 49087528
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
2-[4-[(2,6-dibromophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107601737
2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 107273013
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
CID 19338560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid (CID 61018494) is 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)COc2ccccc2O)cn1.
What is the InChIKey of 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is XZYIATCIZFVPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-10-3-1-2-4-11(10)21-8-12(18)15-9-5-14-16(6-9)7-13(19)20/h1-6,17H,7-8H2,(H,15,18)(H,19,20).
What are the key properties of 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 291.26 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).