1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide

C14H18N4O3S — CID 56788183

IUPAC1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NCCCS(N)(=O)=O)cn1
InChIInChI=1S/C14H18N4O3S/c1-11-5-2-3-6-13(11)18-10-12(9-17-18)14(19)16-7-4-8-22(15,20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyWOYIBXPSVLKDIL-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.59
Rot. Bonds6

About 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide

1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide (PubChem CID 56788183) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide
PubChem CID56788183
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NCCCS(N)(=O)=O)cn1
InChIInChI=1S/C14H18N4O3S/c1-11-5-2-3-6-13(11)18-10-12(9-17-18)14(19)16-7-4-8-22(15,20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyWOYIBXPSVLKDIL-UHFFFAOYSA-N
XLogP0.59
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
1,3-Diphenyl-1H-pyrazole-4-carboxylic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amide
CID 649330
3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57394706
5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57398166
4-[[1-(1-methylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682475
N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide
CID 3621596
US10617680, Example 172
CID 135355173
US10617680, Example 302
CID 135355256
US10617680, Example 303
CID 140929086
US9926282, Example 396
CID 145995489
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8244250
1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34644882

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide (CID 56788183) is 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide is Cc1ccccc1-n1cc(C(=O)NCCCS(N)(=O)=O)cn1.
What is the InChIKey of 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
The InChIKey is WOYIBXPSVLKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-11-5-2-3-6-13(11)18-10-12(9-17-18)14(19)16-7-4-8-22(15,20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)(H2,15,20,21).
What are the key properties of 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56788183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).