3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine

C8H4ClF3N4 — CID 165128824

IUPAC3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
SMILESFC(F)(F)c1cnn(-c2cnnc(Cl)c2)c1
InChIInChI=1S/C8H4ClF3N4/c9-7-1-6(3-13-15-7)16-4-5(2-14-16)8(10,11)12/h1-4H
InChIKeyZDCPLFXYAYCZEL-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine

3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine (PubChem CID 165128824) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
PubChem CID165128824
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
SMILESFC(F)(F)c1cnn(-c2cnnc(Cl)c2)c1
InChIInChI=1S/C8H4ClF3N4/c9-7-1-6(3-13-15-7)16-4-5(2-14-16)8(10,11)12/h1-4H
InChIKeyZDCPLFXYAYCZEL-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine (CID 165128824) is 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine is FC(F)(F)c1cnn(-c2cnnc(Cl)c2)c1.
What is the InChIKey of 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The InChIKey is ZDCPLFXYAYCZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-7-1-6(3-13-15-7)16-4-5(2-14-16)8(10,11)12/h1-4H.
What are the key properties of 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine has a molecular weight of 248.60 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 165128824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).