N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H17N5O2S — CID 43091243

IUPACN-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C11H17N5O2S/c1-9-11(10(2)15-14-9)19(17,18)13-4-3-6-16-7-5-12-8-16/h5,7-8,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyQRVUXLCPFHFEKZ-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.59
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43091243) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43091243
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C11H17N5O2S/c1-9-11(10(2)15-14-9)19(17,18)13-4-3-6-16-7-5-12-8-16/h5,7-8,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyQRVUXLCPFHFEKZ-UHFFFAOYSA-N
XLogP0.59
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
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-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine
CID 164621876
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 91923950
1,5-dimethyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]pyrazole-4-sulfonamide
CID 137987943
1-(difluoromethyl)-3,5-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 46968824
N,1,3,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonamide
CID 56481698
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 78849341
1-ethyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole-4-sulfonamide
CID 136543743
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 146131699
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine
CID 2683573
1-Isopropyl-3-methyl-N-[3-(2-methylimidazol-1-YL)propyl]pyrazole-4-sulfonamide
CID 46971954
1-ethyl-3-methylimidazol-3-ium;methyl sulfate;3,4,5-trimethyl-1H-pyrazol-2-ium;chloride
CID 159891025
3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanyl-1H-pyrazole
CID 2745243

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43091243) is N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QRVUXLCPFHFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-9-11(10(2)15-14-9)19(17,18)13-4-3-6-16-7-5-12-8-16/h5,7-8,13H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 283.36 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 N-(3-imidazol-1-ylpropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43091243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).