1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide

C14H19N3O2S — CID 6469875

IUPAC1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn(C)nc1C)c1ccccc1
InChIInChI=1S/C14H19N3O2S/c1-4-13(12-8-6-5-7-9-12)16-20(18,19)14-10-17(3)15-11(14)2/h5-10,13,16H,4H2,1-3H3
InChIKeyLSGSOZYBYCVWFV-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.16
Rot. Bonds5

About 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide (PubChem CID 6469875) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
PubChem CID6469875
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn(C)nc1C)c1ccccc1
InChIInChI=1S/C14H19N3O2S/c1-4-13(12-8-6-5-7-9-12)16-20(18,19)14-10-17(3)15-11(14)2/h5-10,13,16H,4H2,1-3H3
InChIKeyLSGSOZYBYCVWFV-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1510476
[(2-Chlorophenyl)methyl][(1-ethyl-5-methylpyrazol-4-yl)sulfonyl]amine
CID 6466638
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-4-methyl-benzenesulfonamide
CID 6499783
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-4-methylbenzenesulfonohydrazide
CID 6874488
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide (CID 6469875) is 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cn(C)nc1C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The InChIKey is LSGSOZYBYCVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-13(12-8-6-5-7-9-12)16-20(18,19)14-10-17(3)15-11(14)2/h5-10,13,16H,4H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6469875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).