N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H18N4O4S — CID 3245642

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H18N4O4S/c1-10-15(12(3)24-17-10)25(22,23)18-14-11(2)19(4)20(16(14)21)13-8-6-5-7-9-13/h5-9,18H,1-4H3
InChIKeyQTZYNGJXDMOVPP-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.89
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3245642) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3245642
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H18N4O4S/c1-10-15(12(3)24-17-10)25(22,23)18-14-11(2)19(4)20(16(14)21)13-8-6-5-7-9-13/h5-9,18H,1-4H3
InChIKeyQTZYNGJXDMOVPP-UHFFFAOYSA-N
XLogP1.89
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3245642) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QTZYNGJXDMOVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-10-15(12(3)24-17-10)25(22,23)18-14-11(2)19(4)20(16(14)21)13-8-6-5-7-9-13/h5-9,18H,1-4H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3245642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).