methoxy-methyl-(1H-pyrazol-4-yl)borane

C5H9BN2O — CID 123962893

IUPACmethoxy-methyl-(1H-pyrazol-4-yl)borane
SMILESCOB(C)c1cn[nH]c1
InChIInChI=1S/C5H9BN2O/c1-6(9-2)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKeyNKPNGUBEGRRKGB-UHFFFAOYSA-N
MW123.95 g/mol
LogP-0.12
Rot. Bonds2

About methoxy-methyl-(1H-pyrazol-4-yl)borane

methoxy-methyl-(1H-pyrazol-4-yl)borane (PubChem CID 123962893) has the molecular formula C5H9BN2O and a molecular weight of 123.95 g/mol. Its IUPAC name is methoxy-methyl-(1H-pyrazol-4-yl)borane.

Molecular Properties

Compound Namemethoxy-methyl-(1H-pyrazol-4-yl)borane
PubChem CID123962893
Molecular FormulaC5H9BN2O
Molecular Weight123.95 g/mol
Exact Mass124.08
IUPAC Namemethoxy-methyl-(1H-pyrazol-4-yl)borane
SMILESCOB(C)c1cn[nH]c1
InChIInChI=1S/C5H9BN2O/c1-6(9-2)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKeyNKPNGUBEGRRKGB-UHFFFAOYSA-N
XLogP-0.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.95
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
CID 95566830
3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
CID 131154051
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
methyl-[4-(1H-pyrazol-4-yl)piperazin-1-yl]borinic acid
CID 153412321
4-tert-butyl-1H-pyrazole;ethane
CID 142062876
4-bromo-1H-pyrazole;methanamine
CID 174368841
3-methyl-1-(1H-pyrazol-4-yl)piperidine
CID 131085917
1H-pyrazole-4-selenol
CID 172769094
N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine
CID 64725037
N-methyl-1-(1H-pyrazol-4-yl)ethenamine
CID 134288911
bis(1H-pyrazol-4-yl)diazene
CID 172560881
4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole
CID 4275268

Frequently Asked Questions

What is the IUPAC name of methoxy-methyl-(1H-pyrazol-4-yl)borane?
The IUPAC name of methoxy-methyl-(1H-pyrazol-4-yl)borane (CID 123962893) is methoxy-methyl-(1H-pyrazol-4-yl)borane.
What is the SMILES notation for methoxy-methyl-(1H-pyrazol-4-yl)borane?
The canonical SMILES for methoxy-methyl-(1H-pyrazol-4-yl)borane is COB(C)c1cn[nH]c1.
What is the InChIKey of methoxy-methyl-(1H-pyrazol-4-yl)borane?
The InChIKey is NKPNGUBEGRRKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BN2O/c1-6(9-2)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8).
What are the key properties of methoxy-methyl-(1H-pyrazol-4-yl)borane?
methoxy-methyl-(1H-pyrazol-4-yl)borane has a molecular weight of 123.95 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methyl-(1H-pyrazol-4-yl)borane is sourced from PubChem (CID 123962893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).