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

C15H23N5O2S — CID 86302900

IUPACN-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H23N5O2S/c1-16-8-9-20(2)11-12-10-17-18-15(12)13-6-4-5-7-14(13)19-23(3,21)22/h4-7,10,16,19H,8-9,11H2,1-3H3,(H,17,18)
InChIKeyJDAIELHPZLBDTK-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.10
Rot. Bonds8

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

N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 86302900) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID86302900
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H23N5O2S/c1-16-8-9-20(2)11-12-10-17-18-15(12)13-6-4-5-7-14(13)19-23(3,21)22/h4-7,10,16,19H,8-9,11H2,1-3H3,(H,17,18)
InChIKeyJDAIELHPZLBDTK-UHFFFAOYSA-N
XLogP1.10
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide (CID 86302900) is N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide is CNCCN(C)Cc1cn[nH]c1-c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is JDAIELHPZLBDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-16-8-9-20(2)11-12-10-17-18-15(12)13-6-4-5-7-14(13)19-23(3,21)22/h4-7,10,16,19H,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 86302900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).