2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid

C9H13N3O4 — CID 79457991

IUPAC2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESCc1[nH]ncc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C9H13N3O4/c1-6-7(4-11-12-6)9(15)10-2-3-16-5-8(13)14/h4H,2-3,5H2,1H3,(H,10,15)(H,11,12)(H,13,14)
InChIKeyPQMGATDZACPTLC-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.45
Rot. Bonds6

About 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid

2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79457991) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
PubChem CID79457991
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESCc1[nH]ncc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C9H13N3O4/c1-6-7(4-11-12-6)9(15)10-2-3-16-5-8(13)14/h4H,2-3,5H2,1H3,(H,10,15)(H,11,12)(H,13,14)
InChIKeyPQMGATDZACPTLC-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
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

2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463639
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
CID 79469118
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907
2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
CID 114036991
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
CID 79456992
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid (CID 79457991) is 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid is Cc1[nH]ncc1C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is PQMGATDZACPTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6-7(4-11-12-6)9(15)10-2-3-16-5-8(13)14/h4H,2-3,5H2,1H3,(H,10,15)(H,11,12)(H,13,14).
What are the key properties of 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).