3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide

C10H16N4O2S — CID 105359169

IUPAC3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
SMILESC#CCN(CC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H16N4O2S/c1-5-7-14(6-2)17(15,16)9-8(3)13(4)12-10(9)11/h1H,6-7H2,2-4H3,(H2,11,12)
InChIKeyIRYHBRDCJDYDQT-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.05
Rot. Bonds4

About 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide

3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide (PubChem CID 105359169) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
PubChem CID105359169
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
SMILESC#CCN(CC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H16N4O2S/c1-5-7-14(6-2)17(15,16)9-8(3)13(4)12-10(9)11/h1H,6-7H2,2-4H3,(H2,11,12)
InChIKeyIRYHBRDCJDYDQT-UHFFFAOYSA-N
XLogP-0.05
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
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
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
3-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359279
3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357969
ethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 105358639
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
3-[ethyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanethioamide
CID 62061410
3,5-dimethyl-1-(2-methylpropyl)-N,N-bis(prop-2-ynyl)pyrazole-4-sulfonamide
CID 75477027
5-amino-4-bromo-N-ethyl-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 114626005
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358755

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide (CID 105359169) is 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide is C#CCN(CC)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide?
The InChIKey is IRYHBRDCJDYDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5-7-14(6-2)17(15,16)9-8(3)13(4)12-10(9)11/h1H,6-7H2,2-4H3,(H2,11,12).
What are the key properties of 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide?
3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).