N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide

C9H17N3O2S — CID 47267298

IUPACN-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-4-8(5-2)12(3)15(13,14)9-6-10-11-7-9/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyVSCZCASJOQKEDF-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.22
Rot. Bonds5

About N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide

N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide (PubChem CID 47267298) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
PubChem CID47267298
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-4-8(5-2)12(3)15(13,14)9-6-10-11-7-9/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyVSCZCASJOQKEDF-UHFFFAOYSA-N
XLogP1.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonamide
CID 45080579
1H-pyrazole-4-sulfonohydrazide
CID 60917034
N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 164629647
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47388120
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876542
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876999
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60916745
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60917319

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide (CID 47267298) is N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide is CCC(CC)N(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is VSCZCASJOQKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-8(5-2)12(3)15(13,14)9-6-10-11-7-9/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).