(4-methyl-1H-pyrazol-5-yl)boronic acid

C4H7BN2O2 — CID 66986063

IUPAC(4-methyl-1H-pyrazol-5-yl)boronic acid
SMILESCc1cn[nH]c1B(O)O
InChIInChI=1S/C4H7BN2O2/c1-3-2-6-7-4(3)5(8)9/h2,8-9H,1H3,(H,6,7)
InChIKeyIVUNNICUBVWZDT-UHFFFAOYSA-N
MW125.92 g/mol
LogP-1.60
Rot. Bonds1

About (4-methyl-1H-pyrazol-5-yl)boronic acid

(4-methyl-1H-pyrazol-5-yl)boronic acid (PubChem CID 66986063) has the molecular formula C4H7BN2O2 and a molecular weight of 125.92 g/mol. Its IUPAC name is (4-methyl-1H-pyrazol-5-yl)boronic acid.

Molecular Properties

Compound Name(4-methyl-1H-pyrazol-5-yl)boronic acid
PubChem CID66986063
Molecular FormulaC4H7BN2O2
Molecular Weight125.92 g/mol
Exact Mass126.06
IUPAC Name(4-methyl-1H-pyrazol-5-yl)boronic acid
SMILESCc1cn[nH]c1B(O)O
InChIInChI=1S/C4H7BN2O2/c1-3-2-6-7-4(3)5(8)9/h2,8-9H,1H3,(H,6,7)
InChIKeyIVUNNICUBVWZDT-UHFFFAOYSA-N
XLogP-1.60
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.92
LogP ≤ 5-1.60
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

4-Methylpyrazole
CID 3406
4-Methylpyrazole hydrochloride
CID 11957593
1H-pyrazol-4-ylmethanamine
CID 23005583
Fomepizole sulfate
CID 10176373
1H-Pyrazole-4-boronic acid
CID 17750278
(1H-pyrazol-4-yl)methanamine dihydrochloride
CID 43810558
3-iodo-4-methyl-1H-pyrazole
CID 67184620
4-Methyl-1H-pyrazol-1-amine
CID 13483629
4-(azidomethyl)-1H-pyrazole
CID 121212022
4-(fluoromethyl)-1H-pyrazole
CID 67635481
4-Fluoro-1H-pyrazol-5-ylboronic acid
CID 72212410
5-fluoro-4-methyl-1H-pyrazole
CID 89995420

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrazol-5-yl)boronic acid?
The IUPAC name of (4-methyl-1H-pyrazol-5-yl)boronic acid (CID 66986063) is (4-methyl-1H-pyrazol-5-yl)boronic acid.
What is the SMILES notation for (4-methyl-1H-pyrazol-5-yl)boronic acid?
The canonical SMILES for (4-methyl-1H-pyrazol-5-yl)boronic acid is Cc1cn[nH]c1B(O)O.
What is the InChIKey of (4-methyl-1H-pyrazol-5-yl)boronic acid?
The InChIKey is IVUNNICUBVWZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BN2O2/c1-3-2-6-7-4(3)5(8)9/h2,8-9H,1H3,(H,6,7).
What are the key properties of (4-methyl-1H-pyrazol-5-yl)boronic acid?
(4-methyl-1H-pyrazol-5-yl)boronic acid has a molecular weight of 125.92 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrazol-5-yl)boronic acid is sourced from PubChem (CID 66986063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).