3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one

C9H8ClFN4O — CID 175914923

IUPAC3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one
SMILESC[C@@H](c1cc(Cl)n[nH]c1=O)n1ccc(F)n1
InChIInChI=1S/C9H8ClFN4O/c1-5(15-3-2-8(11)14-15)6-4-7(10)12-13-9(6)16/h2-5H,1H3,(H,13,16)/t5-/m0/s1
InChIKeyBOBZKRFWYJNKMW-YFKPBYRVSA-N
MW242.64 g/mol
LogP1.37
Rot. Bonds2

About 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one

3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one (PubChem CID 175914923) has the molecular formula C9H8ClFN4O and a molecular weight of 242.64 g/mol. Its IUPAC name is 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one
PubChem CID175914923
Molecular FormulaC9H8ClFN4O
Molecular Weight242.64 g/mol
Exact Mass242.04
IUPAC Name3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one
SMILESC[C@@H](c1cc(Cl)n[nH]c1=O)n1ccc(F)n1
InChIInChI=1S/C9H8ClFN4O/c1-5(15-3-2-8(11)14-15)6-4-7(10)12-13-9(6)16/h2-5H,1H3,(H,13,16)/t5-/m0/s1
InChIKeyBOBZKRFWYJNKMW-YFKPBYRVSA-N
XLogP1.37
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one 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 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one (CID 175914923) is 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one is C[C@@H](c1cc(Cl)n[nH]c1=O)n1ccc(F)n1.
What is the InChIKey of 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one?
The InChIKey is BOBZKRFWYJNKMW-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H8ClFN4O/c1-5(15-3-2-8(11)14-15)6-4-7(10)12-13-9(6)16/h2-5H,1H3,(H,13,16)/t5-/m0/s1.
What are the key properties of 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one?
3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one has a molecular weight of 242.64 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one is sourced from PubChem (CID 175914923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).