N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide

C12H20BN3O3 — CID 71108589

IUPACN-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C12H20BN3O3/c1-11(2)12(3,4)19-13(18-11)9-6-15-16(7-9)8-10(17)14-5/h6-7H,8H2,1-5H3,(H,14,17)
InChIKeyCBACZCQOYFWCOQ-UHFFFAOYSA-N
MW265.12 g/mol
LogP-0.07
Rot. Bonds3

About N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide

N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide (PubChem CID 71108589) has the molecular formula C12H20BN3O3 and a molecular weight of 265.12 g/mol. Its IUPAC name is N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
PubChem CID71108589
Molecular FormulaC12H20BN3O3
Molecular Weight265.12 g/mol
Exact Mass265.16
IUPAC NameN-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C12H20BN3O3/c1-11(2)12(3,4)19-13(18-11)9-6-15-16(7-9)8-10(17)14-5/h6-7H,8H2,1-5H3,(H,14,17)
InChIKeyCBACZCQOYFWCOQ-UHFFFAOYSA-N
XLogP-0.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide 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 N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide (CID 71108589) is N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide?
The InChIKey is CBACZCQOYFWCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BN3O3/c1-11(2)12(3,4)19-13(18-11)9-6-15-16(7-9)8-10(17)14-5/h6-7H,8H2,1-5H3,(H,14,17).
What are the key properties of N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide has a molecular weight of 265.12 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 71108589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).