N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide

C14H19N3O2S — CID 22207231

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
SMILESCc1cnn(CCCNS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C14H19N3O2S/c1-13-10-15-17(11-13)9-5-8-16-20(18,19)12-14-6-3-2-4-7-14/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3
InChIKeyDDYOZYSDCGMGSQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.70
Rot. Bonds7

About N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide

N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide (PubChem CID 22207231) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
PubChem CID22207231
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
SMILESCc1cnn(CCCNS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C14H19N3O2S/c1-13-10-15-17(11-13)9-5-8-16-20(18,19)12-14-6-3-2-4-7-14/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3
InChIKeyDDYOZYSDCGMGSQ-UHFFFAOYSA-N
XLogP1.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 22207571
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
1-[5-(benzenesulfonyl)pentyl]-4-methylpyrazole
CID 99120854
2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207248
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198801
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 91834868
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
CID 68511239
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19327946

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide (CID 22207231) is N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide is Cc1cnn(CCCNS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide?
The InChIKey is DDYOZYSDCGMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-13-10-15-17(11-13)9-5-8-16-20(18,19)12-14-6-3-2-4-7-14/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3.
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 22207231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).