phosphoric acid;1H-pyrazole

C3H7N2O4P — CID 66764370

IUPACphosphoric acid;1H-pyrazole
SMILESO=P(O)(O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.H3O4P/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);(H3,1,2,3,4)
InChIKeyRTNCXNIOAWJKIK-UHFFFAOYSA-N
MW166.07 g/mol
LogP-0.52
Rot. Bonds

About phosphoric acid;1H-pyrazole

phosphoric acid;1H-pyrazole (PubChem CID 66764370) has the molecular formula C3H7N2O4P and a molecular weight of 166.07 g/mol. Its IUPAC name is phosphoric acid;1H-pyrazole.

Molecular Properties

Compound Namephosphoric acid;1H-pyrazole
PubChem CID66764370
Molecular FormulaC3H7N2O4P
Molecular Weight166.07 g/mol
Exact Mass166.01
IUPAC Namephosphoric acid;1H-pyrazole
SMILESO=P(O)(O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.H3O4P/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);(H3,1,2,3,4)
InChIKeyRTNCXNIOAWJKIK-UHFFFAOYSA-N
XLogP-0.52
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;1H-pyrazole?
The IUPAC name of phosphoric acid;1H-pyrazole (CID 66764370) is phosphoric acid;1H-pyrazole.
What is the SMILES notation for phosphoric acid;1H-pyrazole?
The canonical SMILES for phosphoric acid;1H-pyrazole is O=P(O)(O)O.c1cn[nH]c1.
What is the InChIKey of phosphoric acid;1H-pyrazole?
The InChIKey is RTNCXNIOAWJKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.H3O4P/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);(H3,1,2,3,4).
What are the key properties of phosphoric acid;1H-pyrazole?
phosphoric acid;1H-pyrazole has a molecular weight of 166.07 g/mol, XLogP of -0.52, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;1H-pyrazole is sourced from PubChem (CID 66764370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).