1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C16H12FN3O3S — CID 7998009

IUPAC1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)cs1
InChIInChI=1S/C16H12FN3O3S/c1-9-19-12(8-24-9)5-15(22)20-7-10(6-18-20)16(23)13-4-11(17)2-3-14(13)21/h2-4,6-8,21H,5H2,1H3
InChIKeyJHQGBCBDLISMMP-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.61
Rot. Bonds4

About 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 7998009) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID7998009
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC Name1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)cs1
InChIInChI=1S/C16H12FN3O3S/c1-9-19-12(8-24-9)5-15(22)20-7-10(6-18-20)16(23)13-4-11(17)2-3-14(13)21/h2-4,6-8,21H,5H2,1H3
InChIKeyJHQGBCBDLISMMP-UHFFFAOYSA-N
XLogP2.61
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 7998009) is 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)cs1.
What is the InChIKey of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is JHQGBCBDLISMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c1-9-19-12(8-24-9)5-15(22)20-7-10(6-18-20)16(23)13-4-11(17)2-3-14(13)21/h2-4,6-8,21H,5H2,1H3.
What are the key properties of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 345.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 7998009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).