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

C19H21N3O3S — CID 58127597

IUPACethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCCOc1cccc(-c2csc(Cn3cc(C(=O)OCC)cn3)n2)c1
InChIInChI=1S/C19H21N3O3S/c1-3-8-25-16-7-5-6-14(9-16)17-13-26-18(21-17)12-22-11-15(10-20-22)19(23)24-4-2/h5-7,9-11,13H,3-4,8,12H2,1-2H3
InChIKeyIZNDBSYHFFZLFS-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.02
Rot. Bonds8

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

ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 58127597) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID58127597
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Nameethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCCOc1cccc(-c2csc(Cn3cc(C(=O)OCC)cn3)n2)c1
InChIInChI=1S/C19H21N3O3S/c1-3-8-25-16-7-5-6-14(9-16)17-13-26-18(21-17)12-22-11-15(10-20-22)19(23)24-4-2/h5-7,9-11,13H,3-4,8,12H2,1-2H3
InChIKeyIZNDBSYHFFZLFS-UHFFFAOYSA-N
XLogP4.02
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[[4-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127684
ethyl 1-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 70794101
ethyl 1-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 66939534
ethyl 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127819
ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127628
ethyl 1-[[4-[3-methyl-5-(2-pyridin-3-ylethynyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127475
ethyl 1-[[4-[3-hydroxy-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 66939232
ethyl 1-[[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127933
1-[[4-(3-acetylphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylic acid
CID 58127895
ethyl 1-[[4-[3-methyl-5-(2-trimethylsilylethynyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127956
ethyl 1-[[4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 66939281
ethyl 1-[[4-[3-(2-pyridin-3-ylethynyl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 66939083

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate (CID 58127597) is ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate is CCCOc1cccc(-c2csc(Cn3cc(C(=O)OCC)cn3)n2)c1.
What is the InChIKey of ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is IZNDBSYHFFZLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-8-25-16-7-5-6-14(9-16)17-13-26-18(21-17)12-22-11-15(10-20-22)19(23)24-4-2/h5-7,9-11,13H,3-4,8,12H2,1-2H3.
What are the key properties of ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 58127597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).