3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H20N4O3S — CID 105357939

IUPAC3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CCC(O)CC2)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-7-10(11(12)13-15(7)2)19(17,18)14-8-3-5-9(16)6-4-8/h8-9,14,16H,3-6H2,1-2H3,(H2,12,13)
InChIKeyUNNAXKPSSKQCKU-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.11
Rot. Bonds3

About 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105357939) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105357939
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CCC(O)CC2)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-7-10(11(12)13-15(7)2)19(17,18)14-8-3-5-9(16)6-4-8/h8-9,14,16H,3-6H2,1-2H3,(H2,12,13)
InChIKeyUNNAXKPSSKQCKU-UHFFFAOYSA-N
XLogP-0.11
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 105359128
3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358663
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide
CID 105359048
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
2-amino-N-(4-hydroxycyclohexyl)pyridine-3-sulfonamide
CID 62150570
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359319

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105357939) is 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC2CCC(O)CC2)c(N)nn1C.
What is the InChIKey of 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is UNNAXKPSSKQCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-7-10(11(12)13-15(7)2)19(17,18)14-8-3-5-9(16)6-4-8/h8-9,14,16H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105357939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).