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

C13H27N5O2S — CID 51105059

IUPACN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
SMILESCc1nn(C)c(N(C)C)c1CNCCCN(C)S(C)(=O)=O
InChIInChI=1S/C13H27N5O2S/c1-11-12(13(16(2)3)18(5)15-11)10-14-8-7-9-17(4)21(6,19)20/h14H,7-10H2,1-6H3
InChIKeyPVEBIAOEWBXNRJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.17
Rot. Bonds8

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

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide (PubChem CID 51105059) has the molecular formula C13H27N5O2S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
PubChem CID51105059
Molecular FormulaC13H27N5O2S
Molecular Weight317.46 g/mol
Exact Mass317.19
IUPAC NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
SMILESCc1nn(C)c(N(C)C)c1CNCCCN(C)S(C)(=O)=O
InChIInChI=1S/C13H27N5O2S/c1-11-12(13(16(2)3)18(5)15-11)10-14-8-7-9-17(4)21(6,19)20/h14H,7-10H2,1-6H3
InChIKeyPVEBIAOEWBXNRJ-UHFFFAOYSA-N
XLogP0.17
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide (CID 51105059) is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide is Cc1nn(C)c(N(C)C)c1CNCCCN(C)S(C)(=O)=O.
What is the InChIKey of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide?
The InChIKey is PVEBIAOEWBXNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2S/c1-11-12(13(16(2)3)18(5)15-11)10-14-8-7-9-17(4)21(6,19)20/h14H,7-10H2,1-6H3.
What are the key properties of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide?
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.17, 8 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-methylmethanesulfonamide is sourced from PubChem (CID 51105059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).