2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole

C9H12N4O — CID 19542378

IUPAC2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole
SMILESCCn1ncc(-c2nnc(C)o2)c1C
InChIInChI=1S/C9H12N4O/c1-4-13-6(2)8(5-10-13)9-12-11-7(3)14-9/h5H,4H2,1-3H3
InChIKeyLBJWNWDECYXQPY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.57
Rot. Bonds2

About 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole

2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 19542378) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID19542378
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole
SMILESCCn1ncc(-c2nnc(C)o2)c1C
InChIInChI=1S/C9H12N4O/c1-4-13-6(2)8(5-10-13)9-12-11-7(3)14-9/h5H,4H2,1-3H3
InChIKeyLBJWNWDECYXQPY-UHFFFAOYSA-N
XLogP1.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate
CID 19542381
2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19542389
1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
CID 67530047
4-(1-ethyl-5-methylpyrazol-4-yl)pyridine
CID 157015319
3-(1-ethyl-5-methylpyrazol-4-yl)-2-methylaniline
CID 107627213
4-(1-ethyl-5-methylpyrazol-4-yl)aniline
CID 66097855
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
[3-(1-ethyl-5-methylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888919
4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
CID 162625614
1-ethyl-5-methylpyrazole-4-thiol
CID 66098686
N-[(1-ethylpyrrol-3-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66399672
4-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099115

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole (CID 19542378) is 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole is CCn1ncc(-c2nnc(C)o2)c1C.
What is the InChIKey of 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is LBJWNWDECYXQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-13-6(2)8(5-10-13)9-12-11-7(3)14-9/h5H,4H2,1-3H3.
What are the key properties of 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole?
2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 192.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19542378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).