N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H21N3O3S — CID 65121358

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H21N3O3S/c1-9-4-3-5-12(16,6-9)8-14-19(17,18)11-7-13-15-10(11)2/h7,9,14,16H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyADMODGISSBNUHI-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.94
Rot. Bonds4

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 65121358) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID65121358
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H21N3O3S/c1-9-4-3-5-12(16,6-9)8-14-19(17,18)11-7-13-15-10(11)2/h7,9,14,16H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyADMODGISSBNUHI-UHFFFAOYSA-N
XLogP0.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 65121358) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ADMODGISSBNUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-4-3-5-12(16,6-9)8-14-19(17,18)11-7-13-15-10(11)2/h7,9,14,16H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65121358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).