5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

C12H11ClN6O — CID 72902534

IUPAC5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C(C)n3cc(Cl)cn3)n2)nn1
InChIInChI=1S/C12H11ClN6O/c1-7-3-4-10(17-16-7)11-15-12(20-18-11)8(2)19-6-9(13)5-14-19/h3-6,8H,1-2H3
InChIKeyGQJZUKDSYHQPCC-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.29
Rot. Bonds3

About 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 72902534) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID72902534
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C(C)n3cc(Cl)cn3)n2)nn1
InChIInChI=1S/C12H11ClN6O/c1-7-3-4-10(17-16-7)11-15-12(20-18-11)8(2)19-6-9(13)5-14-19/h3-6,8H,1-2H3
InChIKeyGQJZUKDSYHQPCC-UHFFFAOYSA-N
XLogP2.29
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97272204
5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97279950
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 130821686
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326681
N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 72883781
(2R)-2-(4-chloropyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 93455407
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 70756733
5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 95306781
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 72902534) is 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(C(C)n3cc(Cl)cn3)n2)nn1.
What is the InChIKey of 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is GQJZUKDSYHQPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c1-7-3-4-10(17-16-7)11-15-12(20-18-11)8(2)19-6-9(13)5-14-19/h3-6,8H,1-2H3.
What are the key properties of 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 290.71 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72902534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).