N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide

C19H25BFN3O3 — CID 142520460

IUPACN-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(N(C)C(=O)c2ccnn2C)ccc(B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C19H25BFN3O3/c1-12-14(23(6)17(25)15-10-11-22-24(15)7)9-8-13(16(12)21)20-26-18(2,3)19(4,5)27-20/h8-11H,1-7H3
InChIKeyNFUAMWRCUCRPRI-UHFFFAOYSA-N
MW373.24 g/mol
LogP2.44
Rot. Bonds3

About N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide

N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 142520460) has the molecular formula C19H25BFN3O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID142520460
Molecular FormulaC19H25BFN3O3
Molecular Weight373.24 g/mol
Exact Mass373.20
IUPAC NameN-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(N(C)C(=O)c2ccnn2C)ccc(B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C19H25BFN3O3/c1-12-14(23(6)17(25)15-10-11-22-24(15)7)9-8-13(16(12)21)20-26-18(2,3)19(4,5)27-20/h8-11H,1-7H3
InChIKeyNFUAMWRCUCRPRI-UHFFFAOYSA-N
XLogP2.44
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide 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-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide (CID 142520460) is N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide is Cc1c(N(C)C(=O)c2ccnn2C)ccc(B2OC(C)(C)C(C)(C)O2)c1F.
What is the InChIKey of N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is NFUAMWRCUCRPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BFN3O3/c1-12-14(23(6)17(25)15-10-11-22-24(15)7)9-8-13(16(12)21)20-26-18(2,3)19(4,5)27-20/h8-11H,1-7H3.
What are the key properties of N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 142520460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).