ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate

C14H15N3O3 — CID 56671784

IUPACethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)n[nH]1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)13-8-12(16-17-13)10-4-6-11(7-5-10)15-9(2)18/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyPTSSSUDEFCDFAK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.21
Rot. Bonds4

About ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate

ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate (PubChem CID 56671784) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate
PubChem CID56671784
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)n[nH]1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)13-8-12(16-17-13)10-4-6-11(7-5-10)15-9(2)18/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyPTSSSUDEFCDFAK-UHFFFAOYSA-N
XLogP2.21
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate (CID 56671784) is ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)n[nH]1.
What is the InChIKey of ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is PTSSSUDEFCDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-14(19)13-8-12(16-17-13)10-4-6-11(7-5-10)15-9(2)18/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate?
ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-acetamidophenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 56671784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).