ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate

C17H22N4O3 — CID 91629196

IUPACethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCn1nc(-c2ccncc2)cc1C
InChIInChI=1S/C17H22N4O3/c1-3-24-17(23)5-4-16(22)19-10-11-21-13(2)12-15(20-21)14-6-8-18-9-7-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyCVZSCTBZLPFKNJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.71
Rot. Bonds8

About ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate

ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate (PubChem CID 91629196) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate
PubChem CID91629196
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCn1nc(-c2ccncc2)cc1C
InChIInChI=1S/C17H22N4O3/c1-3-24-17(23)5-4-16(22)19-10-11-21-13(2)12-15(20-21)14-6-8-18-9-7-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyCVZSCTBZLPFKNJ-UHFFFAOYSA-N
XLogP1.71
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
N-[2-(3-methyl-2-pyridinyl)ethyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16190399
(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
CID 71456911
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309715
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 46887107
N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307455
methyl (1-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-3-oxo-2-piperazinyl)acetate
CID 16187372
(1S,11S)-14-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202041
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide
CID 49030606
2-pyrazol-1-yl-N-(1-pyridin-3-ylethyl)acetamide
CID 53503532
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53562907

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate (CID 91629196) is ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCCn1nc(-c2ccncc2)cc1C.
What is the InChIKey of ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate?
The InChIKey is CVZSCTBZLPFKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-24-17(23)5-4-16(22)19-10-11-21-13(2)12-15(20-21)14-6-8-18-9-7-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22).
What are the key properties of ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate?
ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate has a molecular weight of 330.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 91629196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).