ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate

C14H17N3O3 — CID 46741273

IUPACethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OCC)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-3-19-11-7-5-10(6-8-11)17-13(15)12(9-16-17)14(18)20-4-2/h5-9H,3-4,15H2,1-2H3
InChIKeyPEOYXLBODVTBTC-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.03
Rot. Bonds5

About ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate (PubChem CID 46741273) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate
PubChem CID46741273
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OCC)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-3-19-11-7-5-10(6-8-11)17-13(15)12(9-16-17)14(18)20-4-2/h5-9H,3-4,15H2,1-2H3
InChIKeyPEOYXLBODVTBTC-UHFFFAOYSA-N
XLogP2.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate (CID 46741273) is ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(OCC)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is PEOYXLBODVTBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-19-11-7-5-10(6-8-11)17-13(15)12(9-16-17)14(18)20-4-2/h5-9H,3-4,15H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 46741273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).