2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid

C20H19N3O3 — CID 19485670

IUPAC2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-19(15-23-18(20(25)26)11-12-21-23)22(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,25,26)
InChIKeyYLLRUFHGECKWJQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.81
Rot. Bonds7

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

2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485670) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485670
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-19(15-23-18(20(25)26)11-12-21-23)22(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,25,26)
InChIKeyYLLRUFHGECKWJQ-UHFFFAOYSA-N
XLogP2.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylpropyl)pyrazole-3-carboxylic acid
CID 60780145
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
CID 62920452
N,N-dibenzyl-4-trimethylsilylbutanamide
CID 16744462
2-[(2R,3S)-3-(dibenzylamino)butan-2-yl]pyrazole-3-carboxylic acid
CID 174162628
N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8963237
N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345
2-amino-N,N-dibenzylacetamide
CID 11107897
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485670) is 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is O=C(O)c1ccnn1CC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is YLLRUFHGECKWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(15-23-18(20(25)26)11-12-21-23)22(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,25,26).
What are the key properties of 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).