ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate

C14H15N3O3 — CID 155434676

IUPACethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)11-8-15-17(9-11)13-6-4-12(5-7-13)16-10(2)18/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyOOVDUWWFMXJGOX-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.01
Rot. Bonds4

About ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate

ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate (PubChem CID 155434676) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
PubChem CID155434676
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)11-8-15-17(9-11)13-6-4-12(5-7-13)16-10(2)18/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyOOVDUWWFMXJGOX-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate;[4-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
CID 162044011
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
CID 113320668
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate
CID 17383699
2-oxopropyl 1-phenylpyrazole-4-carboxylate
CID 55425880
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24530050
ethyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 79959571

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate (CID 155434676) is ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate?
The InChIKey is OOVDUWWFMXJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-14(19)11-8-15-17(9-11)13-6-4-12(5-7-13)16-10(2)18/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate?
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 155434676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).