N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid

C7H17N3O4S — CID 174717944

IUPACN,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid
SMILESCN(C)C.Cc1cn[nH]c1.O=S(=O)(O)O
InChIInChI=1S/C4H6N2.C3H9N.H2O4S/c1-4-2-5-6-3-4;1-4(2)3;1-5(2,3)4/h2-3H,1H3,(H,5,6);1-3H3;(H2,1,2,3,4)
InChIKeyNKTOZRGJZWNJTK-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.24
Rot. Bonds

About N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid

N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid (PubChem CID 174717944) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid
PubChem CID174717944
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC NameN,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid
SMILESCN(C)C.Cc1cn[nH]c1.O=S(=O)(O)O
InChIInChI=1S/C4H6N2.C3H9N.H2O4S/c1-4-2-5-6-3-4;1-4(2)3;1-5(2,3)4/h2-3H,1H3,(H,5,6);1-3H3;(H2,1,2,3,4)
InChIKeyNKTOZRGJZWNJTK-UHFFFAOYSA-N
XLogP0.24
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid?
The IUPAC name of N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid (CID 174717944) is N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid.
What is the SMILES notation for N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid?
The canonical SMILES for N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid is CN(C)C.Cc1cn[nH]c1.O=S(=O)(O)O.
What is the InChIKey of N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid?
The InChIKey is NKTOZRGJZWNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C3H9N.H2O4S/c1-4-2-5-6-3-4;1-4(2)3;1-5(2,3)4/h2-3H,1H3,(H,5,6);1-3H3;(H2,1,2,3,4).
What are the key properties of N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid?
N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid has a molecular weight of 239.30 g/mol, XLogP of 0.24, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid is sourced from PubChem (CID 174717944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).