N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide

C15H31N5O2S — CID 56822597

IUPACN-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
SMILESCc1nn(CC(C)C)c(N(C)C)c1CNCCCNS(C)(=O)=O
InChIInChI=1S/C15H31N5O2S/c1-12(2)11-20-15(19(4)5)14(13(3)18-20)10-16-8-7-9-17-23(6,21)22/h12,16-17H,7-11H2,1-6H3
InChIKeyTUMUFFHOCHBZBD-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.94
Rot. Bonds10

About N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide

N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide (PubChem CID 56822597) has the molecular formula C15H31N5O2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
PubChem CID56822597
Molecular FormulaC15H31N5O2S
Molecular Weight345.51 g/mol
Exact Mass345.22
IUPAC NameN-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
SMILESCc1nn(CC(C)C)c(N(C)C)c1CNCCCNS(C)(=O)=O
InChIInChI=1S/C15H31N5O2S/c1-12(2)11-20-15(19(4)5)14(13(3)18-20)10-16-8-7-9-17-23(6,21)22/h12,16-17H,7-11H2,1-6H3
InChIKeyTUMUFFHOCHBZBD-UHFFFAOYSA-N
XLogP0.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 51104851
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylethanesulfonamide
CID 51105083
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
CID 51105102
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
CID 51105420
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-ethylmethanesulfonamide
CID 53539231
N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 53542538
N,N,1,3-tetramethyl-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 53550850
N,N,3-trimethyl-1-(2-methylpropyl)-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 72045679
N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009264
N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
CID 55046506
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 60891775

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide (CID 56822597) is N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide is Cc1nn(CC(C)C)c(N(C)C)c1CNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide?
The InChIKey is TUMUFFHOCHBZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2S/c1-12(2)11-20-15(19(4)5)14(13(3)18-20)10-16-8-7-9-17-23(6,21)22/h12,16-17H,7-11H2,1-6H3.
What are the key properties of N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide?
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 56822597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).