2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C19H17N3O2S — CID 42604758

IUPAC2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)21-22(17)19-20-18(23)12-25-19/h2-10,17H,11-12H2,1H3
InChIKeyCZGCQVKQPNVWSZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.48
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 42604758) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID42604758
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)21-22(17)19-20-18(23)12-25-19/h2-10,17H,11-12H2,1H3
InChIKeyCZGCQVKQPNVWSZ-UHFFFAOYSA-N
XLogP3.48
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 42604758) is 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is COc1ccc(C2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is CZGCQVKQPNVWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)21-22(17)19-20-18(23)12-25-19/h2-10,17H,11-12H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 351.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 42604758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).