N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide

C14H23N5O2S — CID 51853666

IUPACN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C14H23N5O2S/c1-10(8-19-12(3)6-11(2)16-19)7-15-22(20,21)14-9-18(5)17-13(14)4/h6,9-10,15H,7-8H2,1-5H3/t10-/m1/s1
InChIKeyJHKQOPARHQVRGH-SNVBAGLBSA-N
MW325.44 g/mol
LogP1.16
Rot. Bonds6

About N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 51853666) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID51853666
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C14H23N5O2S/c1-10(8-19-12(3)6-11(2)16-19)7-15-22(20,21)14-9-18(5)17-13(14)4/h6,9-10,15H,7-8H2,1-5H3/t10-/m1/s1
InChIKeyJHKQOPARHQVRGH-SNVBAGLBSA-N
XLogP1.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 96549725
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 55913500
1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 51853484
3-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methoxybenzenesulfonamide
CID 55913499
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913760
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 51853666) is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cn(C)nc2C)n1.
What is the InChIKey of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is JHKQOPARHQVRGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-10(8-19-12(3)6-11(2)16-19)7-15-22(20,21)14-9-18(5)17-13(14)4/h6,9-10,15H,7-8H2,1-5H3/t10-/m1/s1.
What are the key properties of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51853666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).