ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate

C10H14N4O3 — CID 168699266

IUPACethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1N1CC(N)CC1=O
InChIInChI=1S/C10H14N4O3/c1-2-17-10(16)9-7(4-12-13-9)14-5-6(11)3-8(14)15/h4,6H,2-3,5,11H2,1H3,(H,12,13)
InChIKeyQFHLGFWIQPVDMO-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.35
Rot. Bonds3

About ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate

ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate (PubChem CID 168699266) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate
PubChem CID168699266
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Nameethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1N1CC(N)CC1=O
InChIInChI=1S/C10H14N4O3/c1-2-17-10(16)9-7(4-12-13-9)14-5-6(11)3-8(14)15/h4,6H,2-3,5,11H2,1H3,(H,12,13)
InChIKeyQFHLGFWIQPVDMO-UHFFFAOYSA-N
XLogP-0.35
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate
CID 168507145
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate
CID 168507411
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate
CID 168699278
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 168699288
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate
CID 168699910
ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168675341
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-difluorobenzoate
CID 168699418
ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 168680845

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate (CID 168699266) is ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1N1CC(N)CC1=O.
What is the InChIKey of ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is QFHLGFWIQPVDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-2-17-10(16)9-7(4-12-13-9)14-5-6(11)3-8(14)15/h4,6H,2-3,5,11H2,1H3,(H,12,13).
What are the key properties of ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate?
ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 168699266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).