2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid

C11H17N3O4 — CID 102810256

IUPAC2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESCCc1nn(C)cc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-9-8(6-14(2)13-9)11(17)12-4-5-18-7-10(15)16/h6H,3-5,7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySRMWEBXMZYBEBF-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.19
Rot. Bonds7

About 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid

2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid (PubChem CID 102810256) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
PubChem CID102810256
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESCCc1nn(C)cc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-9-8(6-14(2)13-9)11(17)12-4-5-18-7-10(15)16/h6H,3-5,7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySRMWEBXMZYBEBF-UHFFFAOYSA-N
XLogP-0.19
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.19
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

N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894223
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636
2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
CID 102811790

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid (CID 102810256) is 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid is CCc1nn(C)cc1C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is SRMWEBXMZYBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-9-8(6-14(2)13-9)11(17)12-4-5-18-7-10(15)16/h6H,3-5,7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 255.27 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 102810256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).