3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide

C13H24N4O2S — CID 105357969

IUPAC3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C13H24N4O2S/c1-4-17(11-8-6-5-7-9-11)20(18,19)12-10(2)16(3)15-13(12)14/h11H,4-9H2,1-3H3,(H2,14,15)
InChIKeySFTXHDQYAADWKK-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105357969) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105357969
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C13H24N4O2S/c1-4-17(11-8-6-5-7-9-11)20(18,19)12-10(2)16(3)15-13(12)14/h11H,4-9H2,1-3H3,(H2,14,15)
InChIKeySFTXHDQYAADWKK-UHFFFAOYSA-N
XLogP1.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 105359169
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate
CID 105358757
3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 60807969
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358663
3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
CID 43540763
3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 91670159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide (CID 105357969) is 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is SFTXHDQYAADWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-17(11-8-6-5-7-9-11)20(18,19)12-10(2)16(3)15-13(12)14/h11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105357969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).