methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate

C14H19N3O2S — CID 103923999

IUPACmethyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCc2cnn(C)c2C)s1
InChIInChI=1S/C14H19N3O2S/c1-10-11(8-16-17(10)2)7-15-9-13-5-4-12(20-13)6-14(18)19-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyRQJHAULSBSYHEA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate (PubChem CID 103923999) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate
PubChem CID103923999
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Namemethyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCc2cnn(C)c2C)s1
InChIInChI=1S/C14H19N3O2S/c1-10-11(8-16-17(10)2)7-15-9-13-5-4-12(20-13)6-14(18)19-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyRQJHAULSBSYHEA-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 106037780
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[(1,3-thiazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 104588985
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[[(2-bromophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894798
methyl 2-[5-[(1,2-oxazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 114185987
methyl 2-[5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 82893938
1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103527576
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
methyl 2-[5-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 103920444
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate (CID 103923999) is methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCc2cnn(C)c2C)s1.
What is the InChIKey of methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate?
The InChIKey is RQJHAULSBSYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-11(8-16-17(10)2)7-15-9-13-5-4-12(20-13)6-14(18)19-3/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate has a molecular weight of 293.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 103923999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).