4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid

C10H15N3O4S — CID 174823616

IUPAC4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid
SMILESCc1cn[nH]c1C.O=S(=O)(O)O.c1ccncc1
InChIInChI=1S/C5H8N2.C5H5N.H2O4S/c1-4-3-6-7-5(4)2;1-2-4-6-5-3-1;1-5(2,3)4/h3H,1-2H3,(H,6,7);1-5H;(H2,1,2,3,4)
InChIKeyZPOMNPZXAAUECB-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.46
Rot. Bonds

About 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid

4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid (PubChem CID 174823616) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid
PubChem CID174823616
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid
SMILESCc1cn[nH]c1C.O=S(=O)(O)O.c1ccncc1
InChIInChI=1S/C5H8N2.C5H5N.H2O4S/c1-4-3-6-7-5(4)2;1-2-4-6-5-3-1;1-5(2,3)4/h3H,1-2H3,(H,6,7);1-5H;(H2,1,2,3,4)
InChIKeyZPOMNPZXAAUECB-UHFFFAOYSA-N
XLogP1.46
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.46
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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Related Compounds

bis(pyridine);sulfuric acid
CID 57357654
CID 174625077
CID 174625077
lithium;hydride;4-methylbenzenesulfonic acid;pyridine
CID 174906944
3,4-dihydro-2H-pyran-2-carboxylic acid;4,5-dimethyl-1H-pyrazole
CID 175438223
2-hydroxy-3-methylbenzenesulfonic acid;pyridine
CID 173174761
methyl hydrogen sulfate;bis(pyridine);hydroiodide
CID 174832701
4-methylpyridine;sulfuric acid
CID 71383556
5-methyl-1H-pyrazole;sulfuric acid
CID 86138187
methanesulfonic acid;pyrimidine
CID 19894525
CID 135046667
CID 135046667
4-phenylbenzenesulfonic acid;pyridine
CID 87942426
2,3-dimethyl-1H-pyrrole;pyridine
CID 174958879

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid?
The IUPAC name of 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid (CID 174823616) is 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid.
What is the SMILES notation for 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid?
The canonical SMILES for 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid is Cc1cn[nH]c1C.O=S(=O)(O)O.c1ccncc1.
What is the InChIKey of 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid?
The InChIKey is ZPOMNPZXAAUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C5H5N.H2O4S/c1-4-3-6-7-5(4)2;1-2-4-6-5-3-1;1-5(2,3)4/h3H,1-2H3,(H,6,7);1-5H;(H2,1,2,3,4).
What are the key properties of 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid?
4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid has a molecular weight of 273.31 g/mol, XLogP of 1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid is sourced from PubChem (CID 174823616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).