N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide

C9H16N4O3S — CID 167894879

IUPACN-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCN(CCCNC(=O)c1ccn[nH]1)S(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-13(17(2,15)16)7-3-5-10-9(14)8-4-6-11-12-8/h4,6H,3,5,7H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyULUDPIWEWYBLSY-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.58
Rot. Bonds6

About N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide

N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide (PubChem CID 167894879) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
PubChem CID167894879
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCN(CCCNC(=O)c1ccn[nH]1)S(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-13(17(2,15)16)7-3-5-10-9(14)8-4-6-11-12-8/h4,6H,3,5,7H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyULUDPIWEWYBLSY-UHFFFAOYSA-N
XLogP-0.58
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 63079423
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
CID 94823486
3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75475736
N-[3-(buta-1,3-dien-2-ylamino)propyl]-N-methylmethanesulfonamide
CID 90245468
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide
CID 56546010
N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
CID 110017698
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
CID 110018237

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide (CID 167894879) is N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide is CN(CCCNC(=O)c1ccn[nH]1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ULUDPIWEWYBLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-13(17(2,15)16)7-3-5-10-9(14)8-4-6-11-12-8/h4,6H,3,5,7H2,1-2H3,(H,10,14)(H,11,12).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 260.32 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167894879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).