N-methyl-N-propyl-1H-pyrazole-4-sulfonamide

C7H13N3O2S — CID 47267291

IUPACN-methyl-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-3-4-10(2)13(11,12)7-5-8-9-6-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyBMGNOXFKXPIHDO-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.44
Rot. Bonds4

About N-methyl-N-propyl-1H-pyrazole-4-sulfonamide

N-methyl-N-propyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267291) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-methyl-N-propyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propyl-1H-pyrazole-4-sulfonamide
PubChem CID47267291
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-methyl-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-3-4-10(2)13(11,12)7-5-8-9-6-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyBMGNOXFKXPIHDO-UHFFFAOYSA-N
XLogP0.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-propyl-1H-pyrazole-4-sulfonamide (CID 47267291) is N-methyl-N-propyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-propyl-1H-pyrazole-4-sulfonamide is CCCN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BMGNOXFKXPIHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-3-4-10(2)13(11,12)7-5-8-9-6-7/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
N-methyl-N-propyl-1H-pyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).