1,3-dimethylpyrazole;phosphoric acid

C5H11N2O4P — CID 18388538

IUPAC1,3-dimethylpyrazole;phosphoric acid
SMILESCc1ccn(C)n1.O=P(O)(O)O
InChIInChI=1S/C5H8N2.H3O4P/c1-5-3-4-7(2)6-5;1-5(2,3)4/h3-4H,1-2H3;(H3,1,2,3,4)
InChIKeyZSRQFWQXBLYRJN-UHFFFAOYSA-N
MW194.13 g/mol
LogP-0.20
Rot. Bonds

About 1,3-dimethylpyrazole;phosphoric acid

1,3-dimethylpyrazole;phosphoric acid (PubChem CID 18388538) has the molecular formula C5H11N2O4P and a molecular weight of 194.13 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;phosphoric acid.

Molecular Properties

Compound Name1,3-dimethylpyrazole;phosphoric acid
PubChem CID18388538
Molecular FormulaC5H11N2O4P
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name1,3-dimethylpyrazole;phosphoric acid
SMILESCc1ccn(C)n1.O=P(O)(O)O
InChIInChI=1S/C5H8N2.H3O4P/c1-5-3-4-7(2)6-5;1-5(2,3)4/h3-4H,1-2H3;(H3,1,2,3,4)
InChIKeyZSRQFWQXBLYRJN-UHFFFAOYSA-N
XLogP-0.20
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chromium;1,3-dimethylpyrazole
CID 174318008
1,3-dimethylpyrazole;pyridine
CID 174814756
1,3-dimethylpyrazole;1-iodopropane
CID 143211289
1,3-dimethylpyrazole;1,4-dimethylpyrazole
CID 160655475
1,3-dimethylpyrazole;ethane;2-methylfuran
CID 142324709
1-methylpyrazole-3-carboxamide
CID 13464586
1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane
CID 158873973
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
formic acid;1-methylpyrazol-3-amine
CID 130345940
ethane;1-methylpyrazole-3-sulfonyl chloride
CID 145139653
(1-methylpyrazol-3-yl)boronic acid
CID 53338706
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;phosphoric acid?
The IUPAC name of 1,3-dimethylpyrazole;phosphoric acid (CID 18388538) is 1,3-dimethylpyrazole;phosphoric acid.
What is the SMILES notation for 1,3-dimethylpyrazole;phosphoric acid?
The canonical SMILES for 1,3-dimethylpyrazole;phosphoric acid is Cc1ccn(C)n1.O=P(O)(O)O.
What is the InChIKey of 1,3-dimethylpyrazole;phosphoric acid?
The InChIKey is ZSRQFWQXBLYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.H3O4P/c1-5-3-4-7(2)6-5;1-5(2,3)4/h3-4H,1-2H3;(H3,1,2,3,4).
What are the key properties of 1,3-dimethylpyrazole;phosphoric acid?
1,3-dimethylpyrazole;phosphoric acid has a molecular weight of 194.13 g/mol, XLogP of -0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole;phosphoric acid is sourced from PubChem (CID 18388538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).