[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

C15H17N3O4S — CID 146131646

IUPAC[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCOc1ccc(-n2cc(O)c(C(=O)N3CCS(=O)CC3)n2)cc1
InChIInChI=1S/C15H17N3O4S/c1-22-12-4-2-11(3-5-12)18-10-13(19)14(16-18)15(20)17-6-8-23(21)9-7-17/h2-5,10,19H,6-9H2,1H3
InChIKeyFCPYEBOWKAJFLY-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.79
Rot. Bonds3

About [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 146131646) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID146131646
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCOc1ccc(-n2cc(O)c(C(=O)N3CCS(=O)CC3)n2)cc1
InChIInChI=1S/C15H17N3O4S/c1-22-12-4-2-11(3-5-12)18-10-13(19)14(16-18)15(20)17-6-8-23(21)9-7-17/h2-5,10,19H,6-9H2,1H3
InChIKeyFCPYEBOWKAJFLY-UHFFFAOYSA-N
XLogP0.79
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 155950130
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate
CID 4737915
1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 114840299
4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide
CID 75518303
[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 99818472
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111969897
3-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 86280199
[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71873867
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576249
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 146131646) is [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is COc1ccc(-n2cc(O)c(C(=O)N3CCS(=O)CC3)n2)cc1.
What is the InChIKey of [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is FCPYEBOWKAJFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-22-12-4-2-11(3-5-12)18-10-13(19)14(16-18)15(20)17-6-8-23(21)9-7-17/h2-5,10,19H,6-9H2,1H3.
What are the key properties of [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 335.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 146131646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).