2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid

C8H11N3O4 — CID 79469118

IUPAC2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N3O4/c12-7(13)5-15-2-1-9-8(14)6-3-10-11-4-6/h3-4H,1-2,5H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyJGBFNVMYTCLYMD-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.76
Rot. Bonds6

About 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid

2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid (PubChem CID 79469118) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
PubChem CID79469118
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N3O4/c12-7(13)5-15-2-1-9-8(14)6-3-10-11-4-6/h3-4H,1-2,5H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyJGBFNVMYTCLYMD-UHFFFAOYSA-N
XLogP-0.76
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
CID 103855622
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457991
2-[2-[2-[(2-methylsulfanylpyrimidine-5-carbonyl)amino]ethoxy]ethoxy]acetic acid
CID 170283260
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 83115021
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
CID 79457804

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid (CID 79469118) is 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)c1cn[nH]c1.
What is the InChIKey of 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid?
The InChIKey is JGBFNVMYTCLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-7(13)5-15-2-1-9-8(14)6-3-10-11-4-6/h3-4H,1-2,5H2,(H,9,14)(H,10,11)(H,12,13).
What are the key properties of 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid?
2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79469118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).