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

C13H24N4O2S — CID 106002887

IUPACN-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C13H24N4O2S/c1-3-10-6-4-5-7-12(10)17-20(18,19)13-11(8-14-2)9-15-16-13/h9-10,12,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyZPBDFXGCSJTQCB-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.38
Rot. Bonds6

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

N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106002887) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106002887
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C13H24N4O2S/c1-3-10-6-4-5-7-12(10)17-20(18,19)13-11(8-14-2)9-15-16-13/h9-10,12,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyZPBDFXGCSJTQCB-UHFFFAOYSA-N
XLogP1.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65824365
N-methyl-1-[5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65824747
4-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1H-pyrazole-5-sulfonamide
CID 115522804
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522942
N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 47265979
N-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47265983
N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47267514
N-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47268026
N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47387575
N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 54907242
N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 54933935

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106002887) is N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CCC1CCCCC1NS(=O)(=O)c1[nH]ncc1CNC.
What is the InChIKey of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZPBDFXGCSJTQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-10-6-4-5-7-12(10)17-20(18,19)13-11(8-14-2)9-15-16-13/h9-10,12,14,17H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106002887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).