1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C10H15N5O — CID 106399467

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCCc1cc(CNCc2ncon2)n(C)n1
InChIInChI=1S/C10H15N5O/c1-3-8-4-9(15(2)13-8)5-11-6-10-12-7-16-14-10/h4,7,11H,3,5-6H2,1-2H3
InChIKeyARRUTOUIBGTSSV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.66
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106399467) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106399467
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCCc1cc(CNCc2ncon2)n(C)n1
InChIInChI=1S/C10H15N5O/c1-3-8-4-9(15(2)13-8)5-11-6-10-12-7-16-14-10/h4,7,11H,3,5-6H2,1-2H3
InChIKeyARRUTOUIBGTSSV-UHFFFAOYSA-N
XLogP0.66
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106399467) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is CCc1cc(CNCc2ncon2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is ARRUTOUIBGTSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-8-4-9(15(2)13-8)5-11-6-10-12-7-16-14-10/h4,7,11H,3,5-6H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 221.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106399467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).