1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H15N5O — CID 66120489

IUPAC1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCn1nc(C)cc1-c1nc(C(C)N)no1
InChIInChI=1S/C10H15N5O/c1-4-15-8(5-6(2)13-15)10-12-9(7(3)11)14-16-10/h5,7H,4,11H2,1-3H3
InChIKeyCYQZVAXOIPPBPG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.28
Rot. Bonds3

About 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 66120489) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID66120489
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCn1nc(C)cc1-c1nc(C(C)N)no1
InChIInChI=1S/C10H15N5O/c1-4-15-8(5-6(2)13-15)10-12-9(7(3)11)14-16-10/h5,7H,4,11H2,1-3H3
InChIKeyCYQZVAXOIPPBPG-UHFFFAOYSA-N
XLogP1.28
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 66120688
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66120490
2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633387
5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 71689313
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine
CID 66119880
1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754014
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
CID 66120071
1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79683684
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325615

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 66120489) is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CCn1nc(C)cc1-c1nc(C(C)N)no1.
What is the InChIKey of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is CYQZVAXOIPPBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-4-15-8(5-6(2)13-15)10-12-9(7(3)11)14-16-10/h5,7H,4,11H2,1-3H3.
What are the key properties of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 221.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 66120489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).