dimethyl hydrogen phosphate;1H-pyrazole

C5H11N2O4P — CID 68859023

IUPACdimethyl hydrogen phosphate;1H-pyrazole
SMILESCOP(=O)(O)OC.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H7O4P/c1-2-4-5-3-1;1-5-7(3,4)6-2/h1-3H,(H,4,5);1-2H3,(H,3,4)
InChIKeyGLSXXZQFZLNNDT-UHFFFAOYSA-N
MW194.13 g/mol
LogP0.79
Rot. Bonds2

About dimethyl hydrogen phosphate;1H-pyrazole

dimethyl hydrogen phosphate;1H-pyrazole (PubChem CID 68859023) has the molecular formula C5H11N2O4P and a molecular weight of 194.13 g/mol. Its IUPAC name is dimethyl hydrogen phosphate;1H-pyrazole.

Molecular Properties

Compound Namedimethyl hydrogen phosphate;1H-pyrazole
PubChem CID68859023
Molecular FormulaC5H11N2O4P
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Namedimethyl hydrogen phosphate;1H-pyrazole
SMILESCOP(=O)(O)OC.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H7O4P/c1-2-4-5-3-1;1-5-7(3,4)6-2/h1-3H,(H,4,5);1-2H3,(H,3,4)
InChIKeyGLSXXZQFZLNNDT-UHFFFAOYSA-N
XLogP0.79
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 1H-pyrazol-3-ylphosphonate
CID 15550888
1H-pyrazol-5-ylphosphonic acid
CID 54394145
2-phosphorosooxy-1H-pyrazol-2-ium
CID 123713989
4,5-bis(dimethoxyphosphoryl)-1H-pyrazole
CID 134938570
Diethyl 1H-Pyrazol-4-ylphosphonate
CID 13427646
methanol;1H-pyrazole
CID 18956708
methyl sulfate;1H-pyrazol-2-ium
CID 22915177
ethanol;1H-pyrazole
CID 66601876
phosphoric acid;1H-pyrazole
CID 66764370
butane;1H-pyrazole
CID 67123964
1H-pyrazole;1H-pyrazol-5-ylphosphonic acid;sulfane
CID 68545453
Dimethyl pyrazol-1-yl phosphate
CID 68859025

Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphate;1H-pyrazole?
The IUPAC name of dimethyl hydrogen phosphate;1H-pyrazole (CID 68859023) is dimethyl hydrogen phosphate;1H-pyrazole.
What is the SMILES notation for dimethyl hydrogen phosphate;1H-pyrazole?
The canonical SMILES for dimethyl hydrogen phosphate;1H-pyrazole is COP(=O)(O)OC.c1cn[nH]c1.
What is the InChIKey of dimethyl hydrogen phosphate;1H-pyrazole?
The InChIKey is GLSXXZQFZLNNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H7O4P/c1-2-4-5-3-1;1-5-7(3,4)6-2/h1-3H,(H,4,5);1-2H3,(H,3,4).
What are the key properties of dimethyl hydrogen phosphate;1H-pyrazole?
dimethyl hydrogen phosphate;1H-pyrazole has a molecular weight of 194.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphate;1H-pyrazole is sourced from PubChem (CID 68859023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).