ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate

C17H19N5O2S — CID 118757053

IUPACethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1CN(C)Cc1cscn1
InChIInChI=1S/C17H19N5O2S/c1-3-24-17(23)14-8-20-22(16-6-4-5-7-18-16)15(14)10-21(2)9-13-11-25-12-19-13/h4-8,11-12H,3,9-10H2,1-2H3
InChIKeyYYIJFZXWXYHDQB-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.53
Rot. Bonds7

About ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate

ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 118757053) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID118757053
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Nameethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1CN(C)Cc1cscn1
InChIInChI=1S/C17H19N5O2S/c1-3-24-17(23)14-8-20-22(16-6-4-5-7-18-16)15(14)10-21(2)9-13-11-25-12-19-13/h4-8,11-12H,3,9-10H2,1-2H3
InChIKeyYYIJFZXWXYHDQB-UHFFFAOYSA-N
XLogP2.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 26276113
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648943
ethyl 1-(1H-benzimidazol-2-yl)-5-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 56853584
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55649220
[2-(N-methylanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629523
5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86853859
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46425848
ethyl 3-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoate
CID 115934647
ethyl 1-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazole-4-carboxylate
CID 116632028
(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648945
ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 116631787

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate (CID 118757053) is ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccn2)c1CN(C)Cc1cscn1.
What is the InChIKey of ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is YYIJFZXWXYHDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-3-24-17(23)14-8-20-22(16-6-4-5-7-18-16)15(14)10-21(2)9-13-11-25-12-19-13/h4-8,11-12H,3,9-10H2,1-2H3.
What are the key properties of ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 357.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 118757053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).