3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide

C13H24N4O2S — CID 61113632

IUPAC3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cn(C)nc2N)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-10-4-6-11(7-5-10)8-15-20(18,19)12-9-17(2)16-13(12)14/h9-11,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyMWNHZCILOHNSOJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.50
Rot. Bonds5

About 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 61113632) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID61113632
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cn(C)nc2N)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-10-4-6-11(7-5-10)8-15-20(18,19)12-9-17(2)16-13(12)14/h9-11,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyMWNHZCILOHNSOJ-UHFFFAOYSA-N
XLogP1.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 60813192
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 55014323
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
3-amino-1-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide
CID 61114804
3-amino-N-(1,4-dioxan-2-ylmethyl)-1-methylpyrazole-4-sulfonamide
CID 54908346
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 63954082
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
CID 102694355
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 61113632) is 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide is CCC1CCC(CNS(=O)(=O)c2cn(C)nc2N)CC1.
What is the InChIKey of 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is MWNHZCILOHNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-10-4-6-11(7-5-10)8-15-20(18,19)12-9-17(2)16-13(12)14/h9-11,15H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 61113632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).