1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide

C13H21N5O2S — CID 47092489

IUPAC1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(Cc2cnn(C)c2)C(C)C)cn1C
InChIInChI=1S/C13H21N5O2S/c1-10(2)18(8-12-6-14-17(5)7-12)21(19,20)13-9-16(4)11(3)15-13/h6-7,9-10H,8H2,1-5H3
InChIKeyZTDBGXSZKOONEO-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.06
Rot. Bonds5

About 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide

1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide (PubChem CID 47092489) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide
PubChem CID47092489
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(Cc2cnn(C)c2)C(C)C)cn1C
InChIInChI=1S/C13H21N5O2S/c1-10(2)18(8-12-6-14-17(5)7-12)21(19,20)13-9-16(4)11(3)15-13/h6-7,9-10H,8H2,1-5H3
InChIKeyZTDBGXSZKOONEO-UHFFFAOYSA-N
XLogP1.06
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide (CID 47092489) is 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(Cc2cnn(C)c2)C(C)C)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is ZTDBGXSZKOONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-10(2)18(8-12-6-14-17(5)7-12)21(19,20)13-9-16(4)11(3)15-13/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide?
1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 47092489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).