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

C12H15N3O3S — CID 545012

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3
InChIKeyBDOBGHXBYQIIGP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.86
Rot. Bonds3

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide (PubChem CID 545012) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide
PubChem CID545012
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3
InChIKeyBDOBGHXBYQIIGP-UHFFFAOYSA-N
XLogP0.86
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Aminopyrine
CID 6009
Antipyrine
CID 2206
Metamizole Sodium
CID 522325
Methylaminoantipyrine
CID 10618
4-Aminoantipyrine
CID 2151
Ramifenazone
CID 5037
Metamizole
CID 3111
Sulpyrine
CID 23674183
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
Magnesium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate
CID 10326858
Nitrosoantipyrine
CID 13443

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide (CID 545012) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide is Cc1c(NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide?
The InChIKey is BDOBGHXBYQIIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 545012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).