(4-methylphenyl)boronic acid;1H-pyrazole

C10H13BN2O2 — CID 154809862

IUPAC(4-methylphenyl)boronic acid;1H-pyrazole
SMILESCc1ccc(B(O)O)cc1.c1cn[nH]c1
InChIInChI=1S/C7H9BO2.C3H4N2/c1-6-2-4-7(5-3-6)8(9)10;1-2-4-5-3-1/h2-5,9-10H,1H3;1-3H,(H,4,5)
InChIKeyBPXUKBDXIHYQGS-UHFFFAOYSA-N
MW204.04 g/mol
LogP0.08
Rot. Bonds1

About (4-methylphenyl)boronic acid;1H-pyrazole

(4-methylphenyl)boronic acid;1H-pyrazole (PubChem CID 154809862) has the molecular formula C10H13BN2O2 and a molecular weight of 204.04 g/mol. Its IUPAC name is (4-methylphenyl)boronic acid;1H-pyrazole.

Molecular Properties

Compound Name(4-methylphenyl)boronic acid;1H-pyrazole
PubChem CID154809862
Molecular FormulaC10H13BN2O2
Molecular Weight204.04 g/mol
Exact Mass204.11
IUPAC Name(4-methylphenyl)boronic acid;1H-pyrazole
SMILESCc1ccc(B(O)O)cc1.c1cn[nH]c1
InChIInChI=1S/C7H9BO2.C3H4N2/c1-6-2-4-7(5-3-6)8(9)10;1-2-4-5-3-1/h2-5,9-10H,1H3;1-3H,(H,4,5)
InChIKeyBPXUKBDXIHYQGS-UHFFFAOYSA-N
XLogP0.08
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4-methylphenyl)boronic acid;1,4-xylene
CID 160827114
(4-methylphenyl)boronic acid;sulfur monoxide
CID 177162052
1-bromo-4-methylbenzene;(4-methylphenyl)boronic acid
CID 158098568
europium;1H-pyrazole
CID 160679867
benzoic acid;(4-methylphenyl)boronic acid
CID 159146186
2-methylfuran;(4-methylphenyl)boronic acid
CID 159728108
1H-pyrazole;sulfuric acid
CID 22222819
bis(4-methylphenyl)borinic acid;methane
CID 158859792
(4-methylphenyl)-phenylborinic acid
CID 143940886
hydroperoxy-(4-methylphenyl)borinic acid
CID 20750205
4-methyl-N-phenylaniline;[4-(N-phenylanilino)phenyl]boronic acid;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 159104775
[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]boronic acid
CID 67360340

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)boronic acid;1H-pyrazole?
The IUPAC name of (4-methylphenyl)boronic acid;1H-pyrazole (CID 154809862) is (4-methylphenyl)boronic acid;1H-pyrazole.
What is the SMILES notation for (4-methylphenyl)boronic acid;1H-pyrazole?
The canonical SMILES for (4-methylphenyl)boronic acid;1H-pyrazole is Cc1ccc(B(O)O)cc1.c1cn[nH]c1.
What is the InChIKey of (4-methylphenyl)boronic acid;1H-pyrazole?
The InChIKey is BPXUKBDXIHYQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO2.C3H4N2/c1-6-2-4-7(5-3-6)8(9)10;1-2-4-5-3-1/h2-5,9-10H,1H3;1-3H,(H,4,5).
What are the key properties of (4-methylphenyl)boronic acid;1H-pyrazole?
(4-methylphenyl)boronic acid;1H-pyrazole has a molecular weight of 204.04 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)boronic acid;1H-pyrazole is sourced from PubChem (CID 154809862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).