3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

C11H10ClF2N3O — CID 153296578

IUPAC3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCn1ncc(Cl)c1-c1cnccc1OC(F)F
InChIInChI=1S/C11H10ClF2N3O/c1-2-17-10(8(12)6-16-17)7-5-15-4-3-9(7)18-11(13)14/h3-6,11H,2H2,1H3
InChIKeyAJGQUZDWJHUWTH-UHFFFAOYSA-N
MW273.67 g/mol
LogP3.22
Rot. Bonds4

About 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (PubChem CID 153296578) has the molecular formula C11H10ClF2N3O and a molecular weight of 273.67 g/mol. Its IUPAC name is 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
PubChem CID153296578
Molecular FormulaC11H10ClF2N3O
Molecular Weight273.67 g/mol
Exact Mass273.05
IUPAC Name3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCn1ncc(Cl)c1-c1cnccc1OC(F)F
InChIInChI=1S/C11H10ClF2N3O/c1-2-17-10(8(12)6-16-17)7-5-15-4-3-9(7)18-11(13)14/h3-6,11H,2H2,1H3
InChIKeyAJGQUZDWJHUWTH-UHFFFAOYSA-N
XLogP3.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The IUPAC name of 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (CID 153296578) is 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.
What is the SMILES notation for 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The canonical SMILES for 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is CCn1ncc(Cl)c1-c1cnccc1OC(F)F.
What is the InChIKey of 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The InChIKey is AJGQUZDWJHUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O/c1-2-17-10(8(12)6-16-17)7-5-15-4-3-9(7)18-11(13)14/h3-6,11H,2H2,1H3.
What are the key properties of 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine has a molecular weight of 273.67 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is sourced from PubChem (CID 153296578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).