4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide

C13H24N4O2S — CID 106053103

IUPAC4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CN)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-10-4-6-11(7-5-10)17-20(18,19)13-12(8-14)9(2)15-16-13/h10-11,17H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyUIOIVVRSKWDYAE-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.42
Rot. Bonds5

About 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106053103) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106053103
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CN)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-10-4-6-11(7-5-10)17-20(18,19)13-12(8-14)9(2)15-16-13/h10-11,17H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyUIOIVVRSKWDYAE-UHFFFAOYSA-N
XLogP1.42
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60722153
[5-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65825136
[5-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65825517
4-(aminomethyl)-5-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 105946672
4-(aminomethyl)-5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-3-sulfonamide
CID 115522956
N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28940486
N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28940708
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28940748
3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 43091233
N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43216463
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43237057
3,5-dimethyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 43237059

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106053103) is 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide is CCC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is UIOIVVRSKWDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-10-4-6-11(7-5-10)17-20(18,19)13-12(8-14)9(2)15-16-13/h10-11,17H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106053103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).