2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide

C21H16FN5O2 — CID 67107402

IUPAC2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H16FN5O2/c22-17-4-1-14(2-5-17)13-29-20-6-3-15(16-10-24-25-11-16)9-19(20)21(28)27-18-7-8-23-26-12-18/h1-12H,13H2,(H,24,25)(H,23,27,28)
InChIKeyFTJDJRLNYSQJAT-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.84
Rot. Bonds6

About 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide

2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide (PubChem CID 67107402) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide
PubChem CID67107402
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H16FN5O2/c22-17-4-1-14(2-5-17)13-29-20-6-3-15(16-10-24-25-11-16)9-19(20)21(28)27-18-7-8-23-26-12-18/h1-12H,13H2,(H,24,25)(H,23,27,28)
InChIKeyFTJDJRLNYSQJAT-UHFFFAOYSA-N
XLogP3.84
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide 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 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide (CID 67107402) is 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
The InChIKey is FTJDJRLNYSQJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-17-4-1-14(2-5-17)13-29-20-6-3-15(16-10-24-25-11-16)9-19(20)21(28)27-18-7-8-23-26-12-18/h1-12H,13H2,(H,24,25)(H,23,27,28).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide has a molecular weight of 389.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 67107402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).