ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

C18H19N3O2S — CID 46889104

IUPACethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCCc1nc(-c2ccccc2)sc1-c1cc(C(=O)OCC)n[nH]1
InChIInChI=1S/C18H19N3O2S/c1-3-8-13-16(14-11-15(21-20-14)18(22)23-4-2)24-17(19-13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyQWCGFORBMJHQOF-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.33
Rot. Bonds6

About ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (PubChem CID 46889104) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
PubChem CID46889104
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Nameethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCCc1nc(-c2ccccc2)sc1-c1cc(C(=O)OCC)n[nH]1
InChIInChI=1S/C18H19N3O2S/c1-3-8-13-16(14-11-15(21-20-14)18(22)23-4-2)24-17(19-13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyQWCGFORBMJHQOF-UHFFFAOYSA-N
XLogP4.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (CID 46889104) is ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is CCCc1nc(-c2ccccc2)sc1-c1cc(C(=O)OCC)n[nH]1.
What is the InChIKey of ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The InChIKey is QWCGFORBMJHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-8-13-16(14-11-15(21-20-14)18(22)23-4-2)24-17(19-13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate has a molecular weight of 341.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 46889104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).