1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol

C19H25BN4O3 — CID 171534090

IUPAC1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol
SMILESCn1cc(C(O)Cn2cc3c(B4OC(C)(C)C(C)(C)O4)cccc3n2)cn1
InChIInChI=1S/C19H25BN4O3/c1-18(2)19(3,4)27-20(26-18)15-7-6-8-16-14(15)11-24(22-16)12-17(25)13-9-21-23(5)10-13/h6-11,17,25H,12H2,1-5H3
InChIKeyACNJIKJQKXSDAQ-UHFFFAOYSA-N
MW368.25 g/mol
LogP1.80
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol

1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol (PubChem CID 171534090) has the molecular formula C19H25BN4O3 and a molecular weight of 368.25 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol
PubChem CID171534090
Molecular FormulaC19H25BN4O3
Molecular Weight368.25 g/mol
Exact Mass368.20
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol
SMILESCn1cc(C(O)Cn2cc3c(B4OC(C)(C)C(C)(C)O4)cccc3n2)cn1
InChIInChI=1S/C19H25BN4O3/c1-18(2)19(3,4)27-20(26-18)15-7-6-8-16-14(15)11-24(22-16)12-17(25)13-9-21-23(5)10-13/h6-11,17,25H,12H2,1-5H3
InChIKeyACNJIKJQKXSDAQ-UHFFFAOYSA-N
XLogP1.80
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol 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

4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-[(2R)-2-fluoro-2-phenylethyl]indazole
CID 171533902
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethane-1,1-diol
CID 163781917
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
(Z)-2-[2-ethenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)but-2-enenitrile
CID 145409251
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 62501851
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]butan-2-ol
CID 123868191
2-bromo-6-hydroxybenzonitrile;2-bromo-6-(1-methylpyrazol-4-yl)benzonitrile;2-(1-methylpyrazol-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 164995370
3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]phenol
CID 131631745
2-(2-methylpropyl)-4-propan-2-ylindazole
CID 146551588
1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 2759392
2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 59525951
4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 155673175

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol (CID 171534090) is 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol is Cn1cc(C(O)Cn2cc3c(B4OC(C)(C)C(C)(C)O4)cccc3n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol?
The InChIKey is ACNJIKJQKXSDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BN4O3/c1-18(2)19(3,4)27-20(26-18)15-7-6-8-16-14(15)11-24(22-16)12-17(25)13-9-21-23(5)10-13/h6-11,17,25H,12H2,1-5H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol?
1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol has a molecular weight of 368.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]ethanol is sourced from PubChem (CID 171534090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).