N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide

C15H31N5O2S — CID 51105102

IUPACN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1nn(C)c(N(C)C)c1CNCCCN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H31N5O2S/c1-12(2)20(23(7,21)22)10-8-9-16-11-14-13(3)17-19(6)15(14)18(4)5/h12,16H,8-11H2,1-7H3
InChIKeyINPPBTRRKGNMQM-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.94
Rot. Bonds9

About N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 51105102) has the molecular formula C15H31N5O2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
PubChem CID51105102
Molecular FormulaC15H31N5O2S
Molecular Weight345.51 g/mol
Exact Mass345.22
IUPAC NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1nn(C)c(N(C)C)c1CNCCCN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H31N5O2S/c1-12(2)20(23(7,21)22)10-8-9-16-11-14-13(3)17-19(6)15(14)18(4)5/h12,16H,8-11H2,1-7H3
InChIKeyINPPBTRRKGNMQM-UHFFFAOYSA-N
XLogP0.94
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.94
H-Bond Donors ≤ 51
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]-N-methylmethanesulfonamide
CID 51105059
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 51104851
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine
CID 94821631
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride
CID 51105352
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
4-[[(2-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104667
4-[[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105311

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide (CID 51105102) is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide is Cc1nn(C)c(N(C)C)c1CNCCCN(C(C)C)S(C)(=O)=O.
What is the InChIKey of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is INPPBTRRKGNMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2S/c1-12(2)20(23(7,21)22)10-8-9-16-11-14-13(3)17-19(6)15(14)18(4)5/h12,16H,8-11H2,1-7H3.
What are the key properties of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide?
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 51105102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).