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1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone

C18H19N3O3S — CID 123342286

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(Cn2cc(-c3ncsc3C(C)=O)c(C(C)O)n2)cc1
InChIInChI=1S/C18H19N3O3S/c1-11(22)16-15(17-18(12(2)23)25-10-19-17)9-21(20-16)8-13-4-6-14(24-3)7-5-13/h4-7,9-11,22H,8H2,1-3H3
InChIKeySNQMRDKBIMRZGQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.32
Rot. Bonds6

About 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone

1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone (PubChem CID 123342286) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone
PubChem CID123342286
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(Cn2cc(-c3ncsc3C(C)=O)c(C(C)O)n2)cc1
InChIInChI=1S/C18H19N3O3S/c1-11(22)16-15(17-18(12(2)23)25-10-19-17)9-21(20-16)8-13-4-6-14(24-3)7-5-13/h4-7,9-11,22H,8H2,1-3H3
InChIKeySNQMRDKBIMRZGQ-UHFFFAOYSA-N
XLogP3.32
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone (CID 123342286) is 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone is COc1ccc(Cn2cc(-c3ncsc3C(C)=O)c(C(C)O)n2)cc1.
What is the InChIKey of 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is SNQMRDKBIMRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(22)16-15(17-18(12(2)23)25-10-19-17)9-21(20-16)8-13-4-6-14(24-3)7-5-13/h4-7,9-11,22H,8H2,1-3H3.
What are the key properties of 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone?
1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 357.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 123342286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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