2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide

C18H29N5O2S — CID 86269641

IUPAC2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccc(NS(=O)(=O)CC(C)C)cc1
InChIInChI=1S/C18H29N5O2S/c1-14(2)13-26(24,25)22-17-7-5-15(6-8-17)18-16(11-20-21-18)12-23(4)10-9-19-3/h5-8,11,14,19,22H,9-10,12-13H2,1-4H3,(H,20,21)
InChIKeyYKCXHFSXZNNKLR-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.13
Rot. Bonds10

About 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide

2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide (PubChem CID 86269641) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide
PubChem CID86269641
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccc(NS(=O)(=O)CC(C)C)cc1
InChIInChI=1S/C18H29N5O2S/c1-14(2)13-26(24,25)22-17-7-5-15(6-8-17)18-16(11-20-21-18)12-23(4)10-9-19-3/h5-8,11,14,19,22H,9-10,12-13H2,1-4H3,(H,20,21)
InChIKeyYKCXHFSXZNNKLR-UHFFFAOYSA-N
XLogP2.13
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-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 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide (CID 86269641) is 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide is CNCCN(C)Cc1cn[nH]c1-c1ccc(NS(=O)(=O)CC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide?
The InChIKey is YKCXHFSXZNNKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-14(2)13-26(24,25)22-17-7-5-15(6-8-17)18-16(11-20-21-18)12-23(4)10-9-19-3/h5-8,11,14,19,22H,9-10,12-13H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide?
2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide has a molecular weight of 379.53 g/mol, XLogP of 2.13, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 86269641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).