ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate

C17H21N3O4 — CID 712311

IUPACethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O4/c1-5-24-17(22)13-14(11-6-8-12(23-4)9-7-11)20(19-15(13)18)16(21)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19)
InChIKeyUIGODPXDWBZFNY-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.61
Rot. Bonds5

About ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate

ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate (PubChem CID 712311) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate
PubChem CID712311
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nameethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O4/c1-5-24-17(22)13-14(11-6-8-12(23-4)9-7-11)20(19-15(13)18)16(21)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19)
InChIKeyUIGODPXDWBZFNY-UHFFFAOYSA-N
XLogP2.61
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate (CID 712311) is ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate is CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate?
The InChIKey is UIGODPXDWBZFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-5-24-17(22)13-14(11-6-8-12(23-4)9-7-11)20(19-15(13)18)16(21)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19).
What are the key properties of ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate?
ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate is sourced from PubChem (CID 712311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).