4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid

C14H15N3O4 — CID 43310291

IUPAC4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
SMILESCC(=O)NCCOc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-10(18)15-7-8-21-12-9-17(16-13(12)14(19)20)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyCHXLHPFCYUBDCK-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.09
Rot. Bonds6

About 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid

4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 43310291) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
PubChem CID43310291
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
SMILESCC(=O)NCCOc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-10(18)15-7-8-21-12-9-17(16-13(12)14(19)20)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyCHXLHPFCYUBDCK-UHFFFAOYSA-N
XLogP1.09
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.09
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

4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
1-phenyl-4-(3,3,3-trifluoropropoxy)pyrazole-3-carboxylic acid
CID 64552674
4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43246414
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 60870347
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119357004
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid (CID 43310291) is 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid is CC(=O)NCCOc1cn(-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is CHXLHPFCYUBDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-10(18)15-7-8-21-12-9-17(16-13(12)14(19)20)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid?
4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 43310291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).