[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid

C10H17BN2O2 — CID 164651772

IUPAC[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid
SMILESCC1(Cn2cc(B(O)O)cn2)CCCC1
InChIInChI=1S/C10H17BN2O2/c1-10(4-2-3-5-10)8-13-7-9(6-12-13)11(14)15/h6-7,14-15H,2-5,8H2,1H3
InChIKeyNKXAPMYKNJSJDN-UHFFFAOYSA-N
MW208.07 g/mol
LogP0.14
Rot. Bonds3

About [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid

[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid (PubChem CID 164651772) has the molecular formula C10H17BN2O2 and a molecular weight of 208.07 g/mol. Its IUPAC name is [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid.

Molecular Properties

Compound Name[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid
PubChem CID164651772
Molecular FormulaC10H17BN2O2
Molecular Weight208.07 g/mol
Exact Mass208.14
IUPAC Name[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid
SMILESCC1(Cn2cc(B(O)O)cn2)CCCC1
InChIInChI=1S/C10H17BN2O2/c1-10(4-2-3-5-10)8-13-7-9(6-12-13)11(14)15/h6-7,14-15H,2-5,8H2,1H3
InChIKeyNKXAPMYKNJSJDN-UHFFFAOYSA-N
XLogP0.14
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid?
The IUPAC name of [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid (CID 164651772) is [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid.
What is the SMILES notation for [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid?
The canonical SMILES for [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid is CC1(Cn2cc(B(O)O)cn2)CCCC1.
What is the InChIKey of [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid?
The InChIKey is NKXAPMYKNJSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2/c1-10(4-2-3-5-10)8-13-7-9(6-12-13)11(14)15/h6-7,14-15H,2-5,8H2,1H3.
What are the key properties of [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid?
[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid has a molecular weight of 208.07 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid is sourced from PubChem (CID 164651772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).