2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid

C14H15N3O3 — CID 19485417

IUPAC2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCc1ccc(NC(=O)Cn2nccc2C(=O)O)cc1
InChIInChI=1S/C14H15N3O3/c1-2-10-3-5-11(6-4-10)16-13(18)9-17-12(14(19)20)7-8-15-17/h3-8H,2,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyHVLJZLICFXKZNV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485417) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485417
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCc1ccc(NC(=O)Cn2nccc2C(=O)O)cc1
InChIInChI=1S/C14H15N3O3/c1-2-10-3-5-11(6-4-10)16-13(18)9-17-12(14(19)20)7-8-15-17/h3-8H,2,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyHVLJZLICFXKZNV-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492092
2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19482824
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485630
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
2-[3-[4-(diethylamino)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492024
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxylic acid
CID 19482774
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
N-(4-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048275
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485417) is 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid is CCc1ccc(NC(=O)Cn2nccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is HVLJZLICFXKZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-10-3-5-11(6-4-10)16-13(18)9-17-12(14(19)20)7-8-15-17/h3-8H,2,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).