5-methyl-4-phenyl-1H-pyrazole;phosphoric acid

C10H13N2O4P — CID 154878944

IUPAC5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
SMILESCc1[nH]ncc1-c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C10H10N2.H3O4P/c1-8-10(7-11-12-8)9-5-3-2-4-6-9;1-5(2,3)4/h2-7H,1H3,(H,11,12);(H3,1,2,3,4)
InChIKeyVWQMYGFYEYUVIR-UHFFFAOYSA-N
MW256.20 g/mol
LogP1.46
Rot. Bonds1

About 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid

5-methyl-4-phenyl-1H-pyrazole;phosphoric acid (PubChem CID 154878944) has the molecular formula C10H13N2O4P and a molecular weight of 256.20 g/mol. Its IUPAC name is 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid.

Molecular Properties

Compound Name5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
PubChem CID154878944
Molecular FormulaC10H13N2O4P
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
SMILESCc1[nH]ncc1-c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C10H10N2.H3O4P/c1-8-10(7-11-12-8)9-5-3-2-4-6-9;1-5(2,3)4/h2-7H,1H3,(H,11,12);(H3,1,2,3,4)
InChIKeyVWQMYGFYEYUVIR-UHFFFAOYSA-N
XLogP1.46
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
CID 39222026
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
CID 139474826
4,5-diphenyl-1H-pyrazole;triethyl phosphate
CID 175485113
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 121379891
4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen
CID 144664765
iridium(3+);tris(4-phenyl-1H-pyrazole-5-carboxylate)
CID 158208821
6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid
CID 39202461
(4-phenyl-1H-pyrazol-5-yl) hydrogen carbonate
CID 70365113
2-(methanesulfonamido)-N-(4-phenyl-1H-pyrazol-5-yl)acetamide
CID 162626748
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid?
The IUPAC name of 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid (CID 154878944) is 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid.
What is the SMILES notation for 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid?
The canonical SMILES for 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid is Cc1[nH]ncc1-c1ccccc1.O=P(O)(O)O.
What is the InChIKey of 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid?
The InChIKey is VWQMYGFYEYUVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.H3O4P/c1-8-10(7-11-12-8)9-5-3-2-4-6-9;1-5(2,3)4/h2-7H,1H3,(H,11,12);(H3,1,2,3,4).
What are the key properties of 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid?
5-methyl-4-phenyl-1H-pyrazole;phosphoric acid has a molecular weight of 256.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-1H-pyrazole;phosphoric acid is sourced from PubChem (CID 154878944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).