1H-pyrazole-1-benzyl-4-boronic acid

• CAS: 852362-22-2
• Catalog Number: ACM852362222
• Category: Boronic Acids
• Molecular Weight: 202.02g/mol
• Molecular Formula: C10H11BN2O2
• IUPAC Name: (1-benzylpyrazol-4-yl)boronic acid
• Canonical SMILES: B(C1=CN(N=C1)CC2=CC=CC=C2)(O)O
• InChI: InChI=1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2
• InChI Key: JXNAIAOHYPDQQC-UHFFFAOYSA-N
• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Exact Mass: 202.091358g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 202.091358g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the PubChem CID of 1-Benzyl-1H-pyrazole-4-boronic acid?

PubChem CID of 1-Benzyl-1H-pyrazole-4-boronic acid is 3352881.

What is the molecular formula of 1-Benzyl-1H-pyrazole-4-boronic acid?

The molecular formula of 1-Benzyl-1H-pyrazole-4-boronic acid is C10H11BN2O2.

What is the molecular weight of 1-Benzyl-1H-pyrazole-4-boronic acid?

The molecular weight of 1-Benzyl-1H-pyrazole-4-boronic acid is 202.02 g/mol.

What is the IUPAC name of 1-Benzyl-1H-pyrazole-4-boronic acid?

The IUPAC name of 1-Benzyl-1H-pyrazole-4-boronic acid is (1-benzylpyrazol-4-yl)boronic acid.

What is the InChI of 1-Benzyl-1H-pyrazole-4-boronic acid?

The InChI of 1-Benzyl-1H-pyrazole-4-boronic acid is InChI=1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2.

What is the InChIKey of 1-Benzyl-1H-pyrazole-4-boronic acid?

The InChIKey of 1-Benzyl-1H-pyrazole-4-boronic acid is JXNAIAOHYPDQQC-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Benzyl-1H-pyrazole-4-boronic acid?

The canonical SMILES of 1-Benzyl-1H-pyrazole-4-boronic acid is B(C1=CN(N=C1)CC2=CC=CC=C2)(O)O.

What is the CAS number of 1-Benzyl-1H-pyrazole-4-boronic acid?

The CAS number of 1-Benzyl-1H-pyrazole-4-boronic acid is 852362-22-2.

What is the monoisotopic mass of 1-Benzyl-1H-pyrazole-4-boronic acid?

The monoisotopic mass of 1-Benzyl-1H-pyrazole-4-boronic acid is 202.0913578 g/mol.

Is 1-Benzyl-1H-pyrazole-4-boronic acid a canonicalized compound?

Yes, 1-Benzyl-1H-pyrazole-4-boronic acid is a canonicalized compound according to PubChem.