N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

C13H23N3O3S — CID 65121845

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-4-6-13(17,7-5-11)9-15-20(18,19)12-8-14-16-10(12)2/h8,11,15,17H,3-7,9H2,1-2H3,(H,14,16)
InChIKeyDENHDWSFMNPPNM-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.33
Rot. Bonds5

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 65121845) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID65121845
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-11-4-6-13(17,7-5-11)9-15-20(18,19)12-8-14-16-10(12)2/h8,11,15,17H,3-7,9H2,1-2H3,(H,14,16)
InChIKeyDENHDWSFMNPPNM-UHFFFAOYSA-N
XLogP1.33
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121358
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693115
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65119728
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103970083
N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 66006522
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 65103400
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104710096

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 65121845) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is CCC1CCC(O)(CNS(=O)(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DENHDWSFMNPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-11-4-6-13(17,7-5-11)9-15-20(18,19)12-8-14-16-10(12)2/h8,11,15,17H,3-7,9H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65121845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).