3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide

C10H16N4O2S — CID 105359344

IUPAC3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
SMILESCC#CCCNS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H16N4O2S/c1-4-5-6-7-12-17(15,16)9-8(2)14(3)13-10(9)11/h12H,6-7H2,1-3H3,(H2,11,13)
InChIKeyADZYRFIPLQBQDH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.00
Rot. Bonds4

About 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide (PubChem CID 105359344) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
PubChem CID105359344
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
SMILESCC#CCCNS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H16N4O2S/c1-4-5-6-7-12-17(15,16)9-8(2)14(3)13-10(9)11/h12H,6-7H2,1-3H3,(H2,11,13)
InChIKeyADZYRFIPLQBQDH-UHFFFAOYSA-N
XLogP0.00
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
CID 106233760
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 105359246
3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 105358787
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
2-amino-4-methyl-N-pent-3-ynyl-1,3-thiazole-5-sulfonamide
CID 116644653
3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
CID 105359105

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide (CID 105359344) is 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide is CC#CCCNS(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide?
The InChIKey is ADZYRFIPLQBQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-4-5-6-7-12-17(15,16)9-8(2)14(3)13-10(9)11/h12H,6-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).