1H-pyrazole-4-selenol

C3H4N2Se — CID 172769094

IUPAC1H-pyrazole-4-selenol
SMILES[SeH]c1cn[nH]c1
InChIInChI=1S/C3H4N2Se/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)
InChIKeyMSCIWIUWTSQFMD-UHFFFAOYSA-N
MW147.04 g/mol
LogP-1.06
Rot. Bonds

About 1H-pyrazole-4-selenol

1H-pyrazole-4-selenol (PubChem CID 172769094) has the molecular formula C3H4N2Se and a molecular weight of 147.04 g/mol. Its IUPAC name is 1H-pyrazole-4-selenol.

Molecular Properties

Compound Name1H-pyrazole-4-selenol
PubChem CID172769094
Molecular FormulaC3H4N2Se
Molecular Weight147.04 g/mol
Exact Mass147.95
IUPAC Name1H-pyrazole-4-selenol
SMILES[SeH]c1cn[nH]c1
InChIInChI=1S/C3H4N2Se/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)
InChIKeyMSCIWIUWTSQFMD-UHFFFAOYSA-N
XLogP-1.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.04
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
bis(1H-pyrazol-4-yl)diazene
CID 172560881
4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole
CID 4275268
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
4-bromo-1H-pyrazole;methanamine
CID 174368841
4-tert-butyl-1H-pyrazole;ethane
CID 142062876
N-fluoro-1H-pyrazol-4-amine
CID 145171249
1H-pyrazol-4-ylmethanol
CID 3015210
4-isocyano-1H-pyrazole
CID 83478492
N-methyl-1-(1H-pyrazol-4-yl)ethenamine
CID 134288911
5-hydroxy-1H-pyridazin-4-one
CID 13001072
methoxy-methyl-(1H-pyrazol-4-yl)borane
CID 123962893

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-4-selenol?
The IUPAC name of 1H-pyrazole-4-selenol (CID 172769094) is 1H-pyrazole-4-selenol.
What is the SMILES notation for 1H-pyrazole-4-selenol?
The canonical SMILES for 1H-pyrazole-4-selenol is [SeH]c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole-4-selenol?
The InChIKey is MSCIWIUWTSQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2Se/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5).
What are the key properties of 1H-pyrazole-4-selenol?
1H-pyrazole-4-selenol has a molecular weight of 147.04 g/mol, XLogP of -1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-4-selenol is sourced from PubChem (CID 172769094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).