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

C9H13N5O — CID 62921321

IUPAC3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCn1nccc1-c1nc(CCCN)no1
InChIInChI=1S/C9H13N5O/c1-14-7(4-6-11-14)9-12-8(13-15-9)3-2-5-10/h4,6H,2-3,5,10H2,1H3
InChIKeyZAHQLUZEUSWLBD-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.36
Rot. Bonds4

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

3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62921321) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62921321
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCn1nccc1-c1nc(CCCN)no1
InChIInChI=1S/C9H13N5O/c1-14-7(4-6-11-14)9-12-8(13-15-9)3-2-5-10/h4,6H,2-3,5,10H2,1H3
InChIKeyZAHQLUZEUSWLBD-UHFFFAOYSA-N
XLogP0.36
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
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3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62920645
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
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1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62920470
2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 130162444
3-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
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3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
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CID 113435625
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350
3-[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102222
4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62921321) is 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is Cn1nccc1-c1nc(CCCN)no1.
What is the InChIKey of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is ZAHQLUZEUSWLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-14-7(4-6-11-14)9-12-8(13-15-9)3-2-5-10/h4,6H,2-3,5,10H2,1H3.
What are the key properties of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62921321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).