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

C14H16N6O — CID 70753725

IUPAC5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCc3n[nH]c(C)c3C)n2)nn1
InChIInChI=1S/C14H16N6O/c1-8-4-5-12(19-16-8)14-15-13(21-20-14)7-6-11-9(2)10(3)17-18-11/h4-5H,6-7H2,1-3H3,(H,17,18)
InChIKeyBMSLMIODVIFMLE-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.96
Rot. Bonds4

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

5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 70753725) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID70753725
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCc3n[nH]c(C)c3C)n2)nn1
InChIInChI=1S/C14H16N6O/c1-8-4-5-12(19-16-8)14-15-13(21-20-14)7-6-11-9(2)10(3)17-18-11/h4-5H,6-7H2,1-3H3,(H,17,18)
InChIKeyBMSLMIODVIFMLE-UHFFFAOYSA-N
XLogP1.96
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
CID 70769894
1-(azepan-1-yl)-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 70707902
3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 72863527
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72908986
(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 97119830
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
N-ethyl-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103375313
3-(6-methoxypyridazin-3-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103372842
N-[2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103372758
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118777853
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 70753725) is 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CCc3n[nH]c(C)c3C)n2)nn1.
What is the InChIKey of 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is BMSLMIODVIFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-8-4-5-12(19-16-8)14-15-13(21-20-14)7-6-11-9(2)10(3)17-18-11/h4-5H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70753725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).