1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

C15H17N3O4 — CID 19624233

IUPAC1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O4/c1-10(11-3-5-12(22-2)6-4-11)16-14(19)9-18-8-7-13(17-18)15(20)21/h3-8,10H,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyUESGMKTWCSBYNZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.47
Rot. Bonds6

About 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19624233) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19624233
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O4/c1-10(11-3-5-12(22-2)6-4-11)16-14(19)9-18-8-7-13(17-18)15(20)21/h3-8,10H,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyUESGMKTWCSBYNZ-UHFFFAOYSA-N
XLogP1.47
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502144
1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 66195635
1-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470667
1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624217
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
2-(2-methoxyethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364417
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19624233) is 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is COc1ccc(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cc1.
What is the InChIKey of 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is UESGMKTWCSBYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10(11-3-5-12(22-2)6-4-11)16-14(19)9-18-8-7-13(17-18)15(20)21/h3-8,10H,9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).