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

C12H25N5O2S — CID 51104851

IUPACN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
SMILESCc1nn(C)c(N(C)C)c1CNCCCNS(C)(=O)=O
InChIInChI=1S/C12H25N5O2S/c1-10-11(12(16(2)3)17(4)15-10)9-13-7-6-8-14-20(5,18)19/h13-14H,6-9H2,1-5H3
InChIKeyCNSCWLHRVWAONE-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.18
Rot. Bonds8

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

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide (PubChem CID 51104851) has the molecular formula C12H25N5O2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
PubChem CID51104851
Molecular FormulaC12H25N5O2S
Molecular Weight303.43 g/mol
Exact Mass303.17
IUPAC NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
SMILESCc1nn(C)c(N(C)C)c1CNCCCNS(C)(=O)=O
InChIInChI=1S/C12H25N5O2S/c1-10-11(12(16(2)3)17(4)15-10)9-13-7-6-8-14-20(5,18)19/h13-14H,6-9H2,1-5H3
InChIKeyCNSCWLHRVWAONE-UHFFFAOYSA-N
XLogP-0.18
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.18
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide (CID 51104851) is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide is Cc1nn(C)c(N(C)C)c1CNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide?
The InChIKey is CNSCWLHRVWAONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S/c1-10-11(12(16(2)3)17(4)15-10)9-13-7-6-8-14-20(5,18)19/h13-14H,6-9H2,1-5H3.
What are the key properties of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide?
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 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]methanesulfonamide is sourced from PubChem (CID 51104851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).