2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide

C13H21N5O2S — CID 104620741

IUPAC2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)nc1C
InChIInChI=1S/C13H21N5O2S/c1-5-6-18-8-13(14-10(18)4)21(19,20)17-12-7-11(9(2)3)15-16-12/h7-9H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyCBXGTCUFTPOAQF-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.25
Rot. Bonds6

About 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide

2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide (PubChem CID 104620741) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide
PubChem CID104620741
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)nc1C
InChIInChI=1S/C13H21N5O2S/c1-5-6-18-8-13(14-10(18)4)21(19,20)17-12-7-11(9(2)3)15-16-12/h7-9H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyCBXGTCUFTPOAQF-UHFFFAOYSA-N
XLogP2.25
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 65098956
N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 104821178
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063
2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide
CID 82714897
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
N-(3-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066248
N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 167876017
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide (CID 104620741) is 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)nc1C.
What is the InChIKey of 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide?
The InChIKey is CBXGTCUFTPOAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-5-6-18-8-13(14-10(18)4)21(19,20)17-12-7-11(9(2)3)15-16-12/h7-9H,5-6H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide?
2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 104620741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).