4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide

C16H22N4O2S — CID 146145272

IUPAC4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cnn(C)c2C2CC2)cc1
InChIInChI=1S/C16H22N4O2S/c1-19(2)23(21,22)15-8-6-14(7-9-15)17-10-13-11-18-20(3)16(13)12-4-5-12/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyOGLUYZMRBZLBRN-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.16
Rot. Bonds6

About 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide

4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 146145272) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID146145272
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cnn(C)c2C2CC2)cc1
InChIInChI=1S/C16H22N4O2S/c1-19(2)23(21,22)15-8-6-14(7-9-15)17-10-13-11-18-20(3)16(13)12-4-5-12/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyOGLUYZMRBZLBRN-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 146145272) is 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2cnn(C)c2C2CC2)cc1.
What is the InChIKey of 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OGLUYZMRBZLBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-19(2)23(21,22)15-8-6-14(7-9-15)17-10-13-11-18-20(3)16(13)12-4-5-12/h6-9,11-12,17H,4-5,10H2,1-3H3.
What are the key properties of 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 146145272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).