3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine

C12H17N5O — CID 75399656

IUPAC3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(CNc1nc(C2CC2)no1)Cn1cccn1
InChIInChI=1S/C12H17N5O/c1-9(8-17-6-2-5-14-17)7-13-12-15-11(16-18-12)10-3-4-10/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,13,15,16)
InChIKeyWKAOTWCCOMLLGF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.89
Rot. Bonds6

About 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine

3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 75399656) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID75399656
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(CNc1nc(C2CC2)no1)Cn1cccn1
InChIInChI=1S/C12H17N5O/c1-9(8-17-6-2-5-14-17)7-13-12-15-11(16-18-12)10-3-4-10/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,13,15,16)
InChIKeyWKAOTWCCOMLLGF-UHFFFAOYSA-N
XLogP1.89
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine (CID 75399656) is 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine is CC(CNc1nc(C2CC2)no1)Cn1cccn1.
What is the InChIKey of 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is WKAOTWCCOMLLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(8-17-6-2-5-14-17)7-13-12-15-11(16-18-12)10-3-4-10/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,13,15,16).
What are the key properties of 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine?
3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75399656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).