ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate

C11H18N4O3 — CID 107344921

IUPACethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
SMILESCCNC(=O)CCn1cc(N)c(C(=O)OCC)n1
InChIInChI=1S/C11H18N4O3/c1-3-13-9(16)5-6-15-7-8(12)10(14-15)11(17)18-4-2/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyDVJRNAWPTAASLM-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.17
Rot. Bonds6

About ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate

ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate (PubChem CID 107344921) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
PubChem CID107344921
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Nameethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
SMILESCCNC(=O)CCn1cc(N)c(C(=O)OCC)n1
InChIInChI=1S/C11H18N4O3/c1-3-13-9(16)5-6-15-7-8(12)10(14-15)11(17)18-4-2/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyDVJRNAWPTAASLM-UHFFFAOYSA-N
XLogP0.17
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
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
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048
ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344903
4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
CID 107345223
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate (CID 107344921) is ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate is CCNC(=O)CCn1cc(N)c(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate?
The InChIKey is DVJRNAWPTAASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-13-9(16)5-6-15-7-8(12)10(14-15)11(17)18-4-2/h7H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate?
ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate is sourced from PubChem (CID 107344921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).