N-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C7H13N3O2S — CID 71688421

IUPACN-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C7H13N3O2S/c1-6(2)10-5-7(4-9-10)13(11,12)8-3/h4-6,8H,1-3H3
InChIKeyBPOWOULLTIVJLF-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.37
Rot. Bonds3

About N-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688421) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688421
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C7H13N3O2S/c1-6(2)10-5-7(4-9-10)13(11,12)8-3/h4-6,8H,1-3H3
InChIKeyBPOWOULLTIVJLF-UHFFFAOYSA-N
XLogP0.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 71997603
1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
CID 95738781
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
N-methyl-4-(1-propan-2-ylpyrazol-4-yl)sulfonylaniline
CID 144625593
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688263
N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 97239341
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71993033
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688421) is N-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-propan-2-ylpyrazole-4-sulfonamide is CNS(=O)(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is BPOWOULLTIVJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6(2)10-5-7(4-9-10)13(11,12)8-3/h4-6,8H,1-3H3.
What are the key properties of N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).