3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide

C15H21N3O2S — CID 42283296

IUPAC3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C15H21N3O2S/c1-3-4-8-11-16-21(19,20)15-12-18(17-13(15)2)14-9-6-5-7-10-14/h5-7,9-10,12,16H,3-4,8,11H2,1-2H3
InChIKeyYRXDIHHURURSJF-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.65
Rot. Bonds7

About 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide

3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283296) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283296
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C15H21N3O2S/c1-3-4-8-11-16-21(19,20)15-12-18(17-13(15)2)14-9-6-5-7-10-14/h5-7,9-10,12,16H,3-4,8,11H2,1-2H3
InChIKeyYRXDIHHURURSJF-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.65
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

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 706169
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
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-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
4-(3-methyl-1H-pyrazol-1-yl)aniline
CID 350327
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6467434
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-ethyl-N-(3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022080
N-(3,5-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022086
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide (CID 42283296) is 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide is CCCCCNS(=O)(=O)c1cn(-c2ccccc2)nc1C.
What is the InChIKey of 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is YRXDIHHURURSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-4-8-11-16-21(19,20)15-12-18(17-13(15)2)14-9-6-5-7-10-14/h5-7,9-10,12,16H,3-4,8,11H2,1-2H3.
What are the key properties of 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide?
3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).