tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate

C14H19N3O2S — CID 42685560

IUPACtert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate
SMILESCCc1c(N)c(-c2cccs2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O2S/c1-5-9-11(15)12(10-7-6-8-20-10)16-17(9)13(18)19-14(2,3)4/h6-8H,5,15H2,1-4H3
InChIKeyVBNBGSQFAGGOJN-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate

tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate (PubChem CID 42685560) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate
PubChem CID42685560
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nametert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate
SMILESCCc1c(N)c(-c2cccs2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O2S/c1-5-9-11(15)12(10-7-6-8-20-10)16-17(9)13(18)19-14(2,3)4/h6-8H,5,15H2,1-4H3
InChIKeyVBNBGSQFAGGOJN-UHFFFAOYSA-N
XLogP3.54
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate
CID 42873954
tert-butyl 4-amino-3-(3-methoxyphenyl)-5-(2-methylpropyl)pyrazole-1-carboxylate
CID 42873977
tert-butyl 2-thiophen-2-ylpyrrole-1-carboxylate
CID 15851801
ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-5-thiophen-2-ylpyrazole-3-carboxylate
CID 138857616
tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 135061190
tert-butyl 4-amino-3-(2-fluorophenyl)-5-methylpyrazole-1-carboxylate
CID 42873969
tert-butyl 5-oxo-3-thiophen-2-yl-2H-pyrrole-1-carboxylate
CID 102151559
tert-butyl 3-[4-(hydroxymethyl)phenyl]indazole-1-carboxylate
CID 67059747
(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
CID 82219651
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
tert-butyl 5-(aminomethyl)-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazole-1-carboxylate
CID 23588927
methyl 2-(5-amino-4-formyl-3-thiophen-2-ylpyrazol-1-yl)butanoate
CID 82360625

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate (CID 42685560) is tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate is CCc1c(N)c(-c2cccs2)nn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate?
The InChIKey is VBNBGSQFAGGOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-9-11(15)12(10-7-6-8-20-10)16-17(9)13(18)19-14(2,3)4/h6-8H,5,15H2,1-4H3.
What are the key properties of tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate?
tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate is sourced from PubChem (CID 42685560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).