2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine

C8H11N5O — CID 82669845

IUPAC2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C8H11N5O/c1-8(2,9)7-13-12-6(14-7)5-3-4-10-11-5/h3-4H,9H2,1-2H3,(H,10,11)
InChIKeyTWCSSPJHXLRNCL-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.65
Rot. Bonds2

About 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine

2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine (PubChem CID 82669845) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine
PubChem CID82669845
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C8H11N5O/c1-8(2,9)7-13-12-6(14-7)5-3-4-10-11-5/h3-4H,9H2,1-2H3,(H,10,11)
InChIKeyTWCSSPJHXLRNCL-UHFFFAOYSA-N
XLogP0.65
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine (CID 82669845) is 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine is CC(C)(N)c1nnc(-c2ccn[nH]2)o1.
What is the InChIKey of 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The InChIKey is TWCSSPJHXLRNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-8(2,9)7-13-12-6(14-7)5-3-4-10-11-5/h3-4H,9H2,1-2H3,(H,10,11).
What are the key properties of 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine has a molecular weight of 193.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine is sourced from PubChem (CID 82669845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).