4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide

C14H26N4O2S — CID 106076678

IUPAC4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C14H26N4O2S/c1-10(2)12-6-4-5-7-13(12)18-21(19,20)14-11(8-15-3)9-16-17-14/h9-10,12-13,15,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyZOJGHTHBBNDTJM-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.62
Rot. Bonds6

About 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106076678) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
PubChem CID106076678
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C14H26N4O2S/c1-10(2)12-6-4-5-7-13(12)18-21(19,20)14-11(8-15-3)9-16-17-14/h9-10,12-13,15,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyZOJGHTHBBNDTJM-UHFFFAOYSA-N
XLogP1.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47265983
N-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47268026
N-(2-tert-butylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47363843
N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47363846
N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 54907242
N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 54933935
N-(2-ethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61248205
N-methyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61357182
N-[[5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 65732091
N-[[5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 65732281
[5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65732657
N-[[5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 65733429

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide (CID 106076678) is 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NC1CCCCC1C(C)C.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZOJGHTHBBNDTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-10(2)12-6-4-5-7-13(12)18-21(19,20)14-11(8-15-3)9-16-17-14/h9-10,12-13,15,18H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106076678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).