ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate

C15H17N3O4 — CID 2815824

IUPACethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(=O)Cc2cccc(OC)c2)c1N
InChIInChI=1S/C15H17N3O4/c1-3-22-15(20)12-9-17-18(14(12)16)13(19)8-10-5-4-6-11(7-10)21-2/h4-7,9H,3,8,16H2,1-2H3
InChIKeyKAMFDVMYZNPUDT-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.53
Rot. Bonds5

About ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate (PubChem CID 2815824) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate
PubChem CID2815824
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(=O)Cc2cccc(OC)c2)c1N
InChIInChI=1S/C15H17N3O4/c1-3-22-15(20)12-9-17-18(14(12)16)13(19)8-10-5-4-6-11(7-10)21-2/h4-7,9H,3,8,16H2,1-2H3
InChIKeyKAMFDVMYZNPUDT-UHFFFAOYSA-N
XLogP1.53
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate (CID 2815824) is ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(=O)Cc2cccc(OC)c2)c1N.
What is the InChIKey of ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate?
The InChIKey is KAMFDVMYZNPUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-22-15(20)12-9-17-18(14(12)16)13(19)8-10-5-4-6-11(7-10)21-2/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate is sourced from PubChem (CID 2815824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).