1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide

C12H21N3O3S — CID 62714101

IUPAC1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCCCC2O)c(C)c1S(N)(=O)=O
InChIInChI=1S/C12H21N3O3S/c1-8-12(19(13,17)18)9(2)15(14-8)10-6-4-3-5-7-11(10)16/h10-11,16H,3-7H2,1-2H3,(H2,13,17,18)
InChIKeyWYZNODKBRMYUGN-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.01
Rot. Bonds2

About 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide

1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 62714101) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID62714101
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCCCC2O)c(C)c1S(N)(=O)=O
InChIInChI=1S/C12H21N3O3S/c1-8-12(19(13,17)18)9(2)15(14-8)10-6-4-3-5-7-11(10)16/h10-11,16H,3-7H2,1-2H3,(H2,13,17,18)
InChIKeyWYZNODKBRMYUGN-UHFFFAOYSA-N
XLogP1.01
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 62714101) is 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(C2CCCCCC2O)c(C)c1S(N)(=O)=O.
What is the InChIKey of 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is WYZNODKBRMYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8-12(19(13,17)18)9(2)15(14-8)10-6-4-3-5-7-11(10)16/h10-11,16H,3-7H2,1-2H3,(H2,13,17,18).
What are the key properties of 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide?
1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62714101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).