3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine

C7H9N5O — CID 131052628

IUPAC3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(CCn2cccn2)no1
InChIInChI=1S/C7H9N5O/c8-7-10-6(11-13-7)2-5-12-4-1-3-9-12/h1,3-4H,2,5H2,(H2,8,10,11)
InChIKeyBARRVIYKBBTEIM-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.09
Rot. Bonds3

About 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine

3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 131052628) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine
PubChem CID131052628
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(CCn2cccn2)no1
InChIInChI=1S/C7H9N5O/c8-7-10-6(11-13-7)2-5-12-4-1-3-9-12/h1,3-4H,2,5H2,(H2,8,10,11)
InChIKeyBARRVIYKBBTEIM-UHFFFAOYSA-N
XLogP0.09
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 131141065
ethane;3-propyl-1,2,4-oxadiazol-5-amine
CID 153346311
3-[12-(5-amino-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-amine
CID 71378288
3-pentyl-1,2,4-oxadiazol-5-amine
CID 139520354
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine
CID 79541998
5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 71931260
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 72937186
5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 61459841

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine (CID 131052628) is 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine is Nc1nc(CCn2cccn2)no1.
What is the InChIKey of 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BARRVIYKBBTEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c8-7-10-6(11-13-7)2-5-12-4-1-3-9-12/h1,3-4H,2,5H2,(H2,8,10,11).
What are the key properties of 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine?
3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 179.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 131052628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).