2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid

C9H13N3O4 — CID 104617294

IUPAC2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCc1cc(NC(=O)COCC(=O)O)n[nH]1
InChIInChI=1S/C9H13N3O4/c1-2-6-3-7(12-11-6)10-8(13)4-16-5-9(14)15/h3H,2,4-5H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyAMHYJATURNONGQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.01
Rot. Bonds6

About 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 104617294) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID104617294
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCc1cc(NC(=O)COCC(=O)O)n[nH]1
InChIInChI=1S/C9H13N3O4/c1-2-6-3-7(12-11-6)10-8(13)4-16-5-9(14)15/h3H,2,4-5H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyAMHYJATURNONGQ-UHFFFAOYSA-N
XLogP0.01
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 103209298
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593811
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
CID 104620385

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid (CID 104617294) is 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid is CCc1cc(NC(=O)COCC(=O)O)n[nH]1.
What is the InChIKey of 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is AMHYJATURNONGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-6-3-7(12-11-6)10-8(13)4-16-5-9(14)15/h3H,2,4-5H2,1H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 227.22 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 104617294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).