2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol

C11H14N2Se — CID 171384384

IUPAC2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol
SMILESCC1=CC([SeH])N(C)N1c1ccccc1
InChIInChI=1S/C11H14N2Se/c1-9-8-11(14)12(2)13(9)10-6-4-3-5-7-10/h3-8,11,14H,1-2H3
InChIKeyLJAJOQRWHARWJN-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.48
Rot. Bonds1

About 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol

2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol (PubChem CID 171384384) has the molecular formula C11H14N2Se and a molecular weight of 253.21 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol
PubChem CID171384384
Molecular FormulaC11H14N2Se
Molecular Weight253.21 g/mol
Exact Mass254.03
IUPAC Name2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol
SMILESCC1=CC([SeH])N(C)N1c1ccccc1
InChIInChI=1S/C11H14N2Se/c1-9-8-11(14)12(2)13(9)10-6-4-3-5-7-10/h3-8,11,14H,1-2H3
InChIKeyLJAJOQRWHARWJN-UHFFFAOYSA-N
XLogP1.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1-phenyl-3H-pyrazole-2-carbaldehyde
CID 151499107
tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane
CID 101481600
1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one
CID 102361650
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one
CID 146678458
2,4,5-trimethyl-1,3-diphenyl-2H-imidazole
CID 126693775
2,3,5,6-tetramethyl-1,4-diphenyl-1,4,2,3,5,6-diazatetrasilinane
CID 175346940
[(3R)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136877648
[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136828025
4-amino-1,2-diphenylpyrazolidine-3,5-dione
CID 162789664
4-[1-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-3-methylbutyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 162801430
gold;toluene
CID 159315944

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol?
The IUPAC name of 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol (CID 171384384) is 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol?
The canonical SMILES for 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol is CC1=CC([SeH])N(C)N1c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol?
The InChIKey is LJAJOQRWHARWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2Se/c1-9-8-11(14)12(2)13(9)10-6-4-3-5-7-10/h3-8,11,14H,1-2H3.
What are the key properties of 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol?
2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol has a molecular weight of 253.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol is sourced from PubChem (CID 171384384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).