ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate

C13H20N4O3 — CID 107344871

IUPACethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(C)C(=O)N2CCCC2)cc1N
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)11-10(14)8-17(15-11)9(2)12(18)16-6-4-5-7-16/h8-9H,3-7,14H2,1-2H3
InChIKeyKRGWGPYNCCOZSG-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.83
Rot. Bonds4

About ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate

ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate (PubChem CID 107344871) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate
PubChem CID107344871
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(C)C(=O)N2CCCC2)cc1N
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)11-10(14)8-17(15-11)9(2)12(18)16-6-4-5-7-16/h8-9H,3-7,14H2,1-2H3
InChIKeyKRGWGPYNCCOZSG-UHFFFAOYSA-N
XLogP0.83
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214
ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
CID 107891686
2-(3-amino-1,2,4-triazol-1-yl)-1-(azepan-1-yl)propan-1-one
CID 54929712
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
CID 107344703
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 62399963
ethyl 4-[2-[3-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19340994
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate (CID 107344871) is ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate is CCOC(=O)c1nn(C(C)C(=O)N2CCCC2)cc1N.
What is the InChIKey of ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate?
The InChIKey is KRGWGPYNCCOZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-13(19)11-10(14)8-17(15-11)9(2)12(18)16-6-4-5-7-16/h8-9H,3-7,14H2,1-2H3.
What are the key properties of ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).