2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid

C7H9N3O4 — CID 61393398

IUPAC2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H9N3O4/c11-6(3-14-4-7(12)13)9-5-1-2-8-10-5/h1-2H,3-4H2,(H,12,13)(H2,8,9,10,11)
InChIKeyUUQNGMSWXCZXEW-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.55
Rot. Bonds5

About 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid

2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid (PubChem CID 61393398) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
PubChem CID61393398
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C7H9N3O4/c11-6(3-14-4-7(12)13)9-5-1-2-8-10-5/h1-2H,3-4H2,(H,12,13)(H2,8,9,10,11)
InChIKeyUUQNGMSWXCZXEW-UHFFFAOYSA-N
XLogP-0.55
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587
2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393731
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
2-(1H-pyrazol-5-ylamino)acetic acid
CID 19590120
2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
CID 2732298
2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 176998033
N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
CID 78980090
3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 61393999
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid (CID 61393398) is 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid?
The InChIKey is UUQNGMSWXCZXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c11-6(3-14-4-7(12)13)9-5-1-2-8-10-5/h1-2H,3-4H2,(H,12,13)(H2,8,9,10,11).
What are the key properties of 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid?
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid is sourced from PubChem (CID 61393398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).