N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide

C7H13N3O2S — CID 63821893

IUPACN-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)C(C)C)n[nH]1
InChIInChI=1S/C7H13N3O2S/c1-5(2)13(11,12)10-7-4-6(3)8-9-7/h4-5H,1-3H3,(H2,8,9,10)
InChIKeyVDXNDEVMJVVRSK-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.87
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide

N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide (PubChem CID 63821893) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide
PubChem CID63821893
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)C(C)C)n[nH]1
InChIInChI=1S/C7H13N3O2S/c1-5(2)13(11,12)10-7-4-6(3)8-9-7/h4-5H,1-3H3,(H2,8,9,10)
InChIKeyVDXNDEVMJVVRSK-UHFFFAOYSA-N
XLogP0.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide (CID 63821893) is N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide is Cc1cc(NS(=O)(=O)C(C)C)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide?
The InChIKey is VDXNDEVMJVVRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5(2)13(11,12)10-7-4-6(3)8-9-7/h4-5H,1-3H3,(H2,8,9,10).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 63821893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).