2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid

C15H17N3O3 — CID 107462256

IUPAC2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
SMILESCCc1nn(C)cc1NC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-12-13(9-18(2)17-12)16-14(19)8-10-6-4-5-7-11(10)15(20)21/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyZXVOVVLQRAONGT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds5

About 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid

2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 107462256) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID107462256
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
SMILESCCc1nn(C)cc1NC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-12-13(9-18(2)17-12)16-14(19)8-10-6-4-5-7-11(10)15(20)21/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyZXVOVVLQRAONGT-UHFFFAOYSA-N
XLogP1.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
CID 107463107
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463211
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid (CID 107462256) is 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid is CCc1nn(C)cc1NC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is ZXVOVVLQRAONGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-12-13(9-18(2)17-12)16-14(19)8-10-6-4-5-7-11(10)15(20)21/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid?
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 107462256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).