1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole

C20H27BN2O2 — CID 144930281

IUPAC1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
SMILESCC1(C)OB(c2ccc(-c3cnn(C4CCCC4)c3)cc2)OC1(C)C
InChIInChI=1S/C20H27BN2O2/c1-19(2)20(3,4)25-21(24-19)17-11-9-15(10-12-17)16-13-22-23(14-16)18-7-5-6-8-18/h9-14,18H,5-8H2,1-4H3
InChIKeyGYZOSZBCSHPBRY-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.96
Rot. Bonds3

About 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole

1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole (PubChem CID 144930281) has the molecular formula C20H27BN2O2 and a molecular weight of 338.26 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
PubChem CID144930281
Molecular FormulaC20H27BN2O2
Molecular Weight338.26 g/mol
Exact Mass338.22
IUPAC Name1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
SMILESCC1(C)OB(c2ccc(-c3cnn(C4CCCC4)c3)cc2)OC1(C)C
InChIInChI=1S/C20H27BN2O2/c1-19(2)20(3,4)25-21(24-19)17-11-9-15(10-12-17)16-13-22-23(14-16)18-7-5-6-8-18/h9-14,18H,5-8H2,1-4H3
InChIKeyGYZOSZBCSHPBRY-UHFFFAOYSA-N
XLogP3.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 2734771
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
1-benzyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 129984305
1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole
CID 4961249
1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 56965771
1-(4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole
CID 67249134
1-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 70700444
1-Benzyl-1H-pyrazole-5-boronic acid, pinacol ester
CID 70700949
4-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methyl-1H-pyrazole
CID 70978525
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-1H-pyrazole
CID 71306539
1-Methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole
CID 89835912
2-(propan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
CID 148212073

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole?
The IUPAC name of 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole (CID 144930281) is 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole is CC1(C)OB(c2ccc(-c3cnn(C4CCCC4)c3)cc2)OC1(C)C.
What is the InChIKey of 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole?
The InChIKey is GYZOSZBCSHPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BN2O2/c1-19(2)20(3,4)25-21(24-19)17-11-9-15(10-12-17)16-13-22-23(14-16)18-7-5-6-8-18/h9-14,18H,5-8H2,1-4H3.
What are the key properties of 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole?
1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole has a molecular weight of 338.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole is sourced from PubChem (CID 144930281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).