5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

C11H9ClN6O — CID 97279950

IUPAC5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESC[C@H](c1nc(-c2cccnn2)no1)n1cc(Cl)cn1
InChIInChI=1S/C11H9ClN6O/c1-7(18-6-8(12)5-14-18)11-15-10(17-19-11)9-3-2-4-13-16-9/h2-7H,1H3/t7-/m1/s1
InChIKeyDRVSVTVUEJLHMG-SSDOTTSWSA-N
MW276.69 g/mol
LogP1.99
Rot. Bonds3

About 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 97279950) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID97279950
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESC[C@H](c1nc(-c2cccnn2)no1)n1cc(Cl)cn1
InChIInChI=1S/C11H9ClN6O/c1-7(18-6-8(12)5-14-18)11-15-10(17-19-11)9-3-2-4-13-16-9/h2-7H,1H3/t7-/m1/s1
InChIKeyDRVSVTVUEJLHMG-SSDOTTSWSA-N
XLogP1.99
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72902534
5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97272204
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72911845
5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97122445
N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 72940116
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326681
5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 155960569
5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72882387
5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72925505
5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97117552
(2R)-2-(4-chloropyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 93455407

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 97279950) is 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is C[C@H](c1nc(-c2cccnn2)no1)n1cc(Cl)cn1.
What is the InChIKey of 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is DRVSVTVUEJLHMG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H9ClN6O/c1-7(18-6-8(12)5-14-18)11-15-10(17-19-11)9-3-2-4-13-16-9/h2-7H,1H3/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 276.69 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97279950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).