(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine

C13H19N5O — CID 95353981

IUPAC(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCc1cnn(CCN[C@@H](C)c2nc(C3CC3)no2)c1
InChIInChI=1S/C13H19N5O/c1-9-7-15-18(8-9)6-5-14-10(2)13-16-12(17-19-13)11-3-4-11/h7-8,10-11,14H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyFMUFUEINYDPYJM-JTQLQIEISA-N
MW261.33 g/mol
LogP1.80
Rot. Bonds6

About (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine

(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (PubChem CID 95353981) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
PubChem CID95353981
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCc1cnn(CCN[C@@H](C)c2nc(C3CC3)no2)c1
InChIInChI=1S/C13H19N5O/c1-9-7-15-18(8-9)6-5-14-10(2)13-16-12(17-19-13)11-3-4-11/h7-8,10-11,14H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyFMUFUEINYDPYJM-JTQLQIEISA-N
XLogP1.80
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (CID 95353981) is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine is Cc1cnn(CCN[C@@H](C)c2nc(C3CC3)no2)c1.
What is the InChIKey of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The InChIKey is FMUFUEINYDPYJM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-7-15-18(8-9)6-5-14-10(2)13-16-12(17-19-13)11-3-4-11/h7-8,10-11,14H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 95353981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).