ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate

C14H20N4O2S — CID 116631244

IUPACethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CNC(C)c1nc(C)cs1
InChIInChI=1S/C14H20N4O2S/c1-5-20-14(19)11-6-16-18(4)12(11)7-15-10(3)13-17-9(2)8-21-13/h6,8,10,15H,5,7H2,1-4H3
InChIKeyAAWXGUOLOJGVBL-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.21
Rot. Bonds6

About ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate (PubChem CID 116631244) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate
PubChem CID116631244
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Nameethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CNC(C)c1nc(C)cs1
InChIInChI=1S/C14H20N4O2S/c1-5-20-14(19)11-6-16-18(4)12(11)7-15-10(3)13-17-9(2)8-21-13/h6,8,10,15H,5,7H2,1-4H3
InChIKeyAAWXGUOLOJGVBL-UHFFFAOYSA-N
XLogP2.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylic acid
CID 116631245
ethyl 1-methyl-5-[(1-pyridin-4-ylethylamino)methyl]pyrazole-4-carboxylate
CID 116630796
ethyl 5-[[1-(dimethylamino)propan-2-ylamino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631467
ethyl 5-[(1-hydroxybutan-2-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630783
ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630971
ethyl 1-methyl-5-[(2-propan-2-yloxyethylamino)methyl]pyrazole-4-carboxylate
CID 116631548
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 1-methyl-5-[(thiophen-3-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 116631165
ethyl 5-[(2-hydroxyethylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630781
ethyl 1-methyl-5-[(4-propan-2-yloxybutylamino)methyl]pyrazole-4-carboxylate
CID 106004076
ethyl 1-methyl-5-[(octylamino)methyl]pyrazole-4-carboxylate
CID 116631446
5-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630977

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate (CID 116631244) is ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1CNC(C)c1nc(C)cs1.
What is the InChIKey of ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate?
The InChIKey is AAWXGUOLOJGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-20-14(19)11-6-16-18(4)12(11)7-15-10(3)13-17-9(2)8-21-13/h6,8,10,15H,5,7H2,1-4H3.
What are the key properties of ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate has a molecular weight of 308.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 116631244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).