ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate

C12H20N4O3 — CID 107344903

IUPACethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC(=O)N(CC)CC)cc1N
InChIInChI=1S/C12H20N4O3/c1-4-15(5-2)10(17)8-16-7-9(13)11(14-16)12(18)19-6-3/h7H,4-6,8,13H2,1-3H3
InChIKeyYNZUSNJCCWAPBP-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.51
Rot. Bonds6

About ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate

ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate (PubChem CID 107344903) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
PubChem CID107344903
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nameethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC(=O)N(CC)CC)cc1N
InChIInChI=1S/C12H20N4O3/c1-4-15(5-2)10(17)8-16-7-9(13)11(14-16)12(18)19-6-3/h7H,4-6,8,13H2,1-3H3
InChIKeyYNZUSNJCCWAPBP-UHFFFAOYSA-N
XLogP0.51
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
ethyl 4-amino-1-[2-(cyanomethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344822
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
CID 107344921
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
ethyl 4-amino-1-(2,2-difluoro-2-phenylethyl)pyrazole-3-carboxylate
CID 107345044

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate (CID 107344903) is ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate is CCOC(=O)c1nn(CC(=O)N(CC)CC)cc1N.
What is the InChIKey of ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The InChIKey is YNZUSNJCCWAPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-15(5-2)10(17)8-16-7-9(13)11(14-16)12(18)19-6-3/h7H,4-6,8,13H2,1-3H3.
What are the key properties of ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate?
ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 107344903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).