ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate

C16H28N4O2 — CID 120835377

IUPACethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CN(C)C2CCNCC2)c1C
InChIInChI=1S/C16H28N4O2/c1-5-22-16(21)11-20-13(3)15(12(2)18-20)10-19(4)14-6-8-17-9-7-14/h14,17H,5-11H2,1-4H3
InChIKeyOXSWEBKEXLSOOP-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.25
Rot. Bonds6

About ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate

ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate (PubChem CID 120835377) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate
PubChem CID120835377
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nameethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CN(C)C2CCNCC2)c1C
InChIInChI=1S/C16H28N4O2/c1-5-22-16(21)11-20-13(3)15(12(2)18-20)10-19(4)14-6-8-17-9-7-14/h14,17H,5-11H2,1-4H3
InChIKeyOXSWEBKEXLSOOP-UHFFFAOYSA-N
XLogP1.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 120836587
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
ethyl 2-[4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120842921
ethyl 2-[4-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120834690
ethyl 2-[4-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methyl]-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 120844109
ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate
CID 71187256
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
ethyl 2-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]acetate
CID 66937785
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825475

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate (CID 120835377) is ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)c(CN(C)C2CCNCC2)c1C.
What is the InChIKey of ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate?
The InChIKey is OXSWEBKEXLSOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-22-16(21)11-20-13(3)15(12(2)18-20)10-19(4)14-6-8-17-9-7-14/h14,17H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate?
ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate has a molecular weight of 308.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate is sourced from PubChem (CID 120835377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).