phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane

C18H19BN2 — CID 91541589

IUPACphenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane
SMILESCC(C)c1cccc(B(c2ccccc2)c2ccn[nH]2)c1
InChIInChI=1S/C18H19BN2/c1-14(2)15-7-6-10-17(13-15)19(18-11-12-20-21-18)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,20,21)
InChIKeyUFHQUZPMZSRKIE-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.05
Rot. Bonds4

About phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane

phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane (PubChem CID 91541589) has the molecular formula C18H19BN2 and a molecular weight of 274.18 g/mol. Its IUPAC name is phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane.

Molecular Properties

Compound Namephenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane
PubChem CID91541589
Molecular FormulaC18H19BN2
Molecular Weight274.18 g/mol
Exact Mass274.16
IUPAC Namephenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane
SMILESCC(C)c1cccc(B(c2ccccc2)c2ccn[nH]2)c1
InChIInChI=1S/C18H19BN2/c1-14(2)15-7-6-10-17(13-15)19(18-11-12-20-21-18)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,20,21)
InChIKeyUFHQUZPMZSRKIE-UHFFFAOYSA-N
XLogP2.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.05
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

5-(3-propan-2-ylphenyl)-1H-pyrazole
CID 58101929
3-propan-2-ylphenolate
CID 101030156
3-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662434
dimethyl(phenyl)borane;4-propan-2-ylpyridine
CID 68614411
cumene;ruthenium(2+);dichloride
CID 23094461
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine
CID 158378690
butyl-bis(3-propan-2-ylphenyl)borane
CID 67927512
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane?
The IUPAC name of phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane (CID 91541589) is phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane.
What is the SMILES notation for phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane?
The canonical SMILES for phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane is CC(C)c1cccc(B(c2ccccc2)c2ccn[nH]2)c1.
What is the InChIKey of phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane?
The InChIKey is UFHQUZPMZSRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BN2/c1-14(2)15-7-6-10-17(13-15)19(18-11-12-20-21-18)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,20,21).
What are the key properties of phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane?
phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane has a molecular weight of 274.18 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-propan-2-ylphenyl)-(1H-pyrazol-5-yl)borane is sourced from PubChem (CID 91541589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).