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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Related Compounds

N,N'-dimethyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86271990
N'-[[5-(3-aminophenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 86304952
N,N'-dimethyl-N'-[[5-[2-methyl-3-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 85473275
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 121342363
2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol
CID 136758052
N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 86302013
N'-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472895
N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 129210478
N'-[[5-[2-chloro-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472893
N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118688387
3-[1-[3-methoxy-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]-4-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyrazol-3-yl]benzonitrile
CID 123986017

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).