[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate

C11H13N3O3S — CID 22086549

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate
SMILESCc1cc(C)n(-c2ccc(OS(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H13N3O3S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17-18(12,15)16/h3-7H,1-2H3,(H2,12,15,16)
InChIKeyDYJYXGFMRKRJPP-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.07
Rot. Bonds3

About [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate

[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate (PubChem CID 22086549) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate
PubChem CID22086549
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate
SMILESCc1cc(C)n(-c2ccc(OS(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H13N3O3S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17-18(12,15)16/h3-7H,1-2H3,(H2,12,15,16)
InChIKeyDYJYXGFMRKRJPP-UHFFFAOYSA-N
XLogP1.07
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,5-dimethylpyrazol-1-yl)-2-sulfamoylbenzoate
CID 14837214
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
CID 129109952
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
CID 60600774
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
1-[2-amino-4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104529170
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
prop-2-enyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50887443
[4-[(4-fluorophenyl)sulfonyl-methylamino]phenyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2569700

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate (CID 22086549) is [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate is Cc1cc(C)n(-c2ccc(OS(N)(=O)=O)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate?
The InChIKey is DYJYXGFMRKRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17-18(12,15)16/h3-7H,1-2H3,(H2,12,15,16).
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate?
[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate has a molecular weight of 267.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate is sourced from PubChem (CID 22086549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).