2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide

C15H15FN4O — CID 61461537

IUPAC2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNCC#Cc1cc(F)ccc1C(=O)NCCn1cccn1
InChIInChI=1S/C15H15FN4O/c16-13-4-5-14(12(11-13)3-1-6-17)15(21)18-8-10-20-9-2-7-19-20/h2,4-5,7,9,11H,6,8,10,17H2,(H,18,21)
InChIKeyJTAAUDMCOPDWMA-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.76
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide

2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 61461537) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID61461537
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNCC#Cc1cc(F)ccc1C(=O)NCCn1cccn1
InChIInChI=1S/C15H15FN4O/c16-13-4-5-14(12(11-13)3-1-6-17)15(21)18-8-10-20-9-2-7-19-20/h2,4-5,7,9,11H,6,8,10,17H2,(H,18,21)
InChIKeyJTAAUDMCOPDWMA-UHFFFAOYSA-N
XLogP0.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide 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

2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
CID 60822238
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-methylsulfanylethyl)benzamide
CID 63958382
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61471024
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406938
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231306
methyl 2-[[2-(3-aminoprop-1-ynyl)-4-fluorobenzoyl]amino]acetate
CID 60820642
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 79990488
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide (CID 61461537) is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide is NCC#Cc1cc(F)ccc1C(=O)NCCn1cccn1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is JTAAUDMCOPDWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-13-4-5-14(12(11-13)3-1-6-17)15(21)18-8-10-20-9-2-7-19-20/h2,4-5,7,9,11H,6,8,10,17H2,(H,18,21).
What are the key properties of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide?
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 286.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 61461537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).