N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C14H17N5OS — CID 25381055

IUPACN-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C14H17N5OS/c1-2-18(8-9-19-7-4-6-15-19)11-13-16-14(17-20-13)12-5-3-10-21-12/h3-7,10H,2,8-9,11H2,1H3
InChIKeyPSAHGGLPCUYZLF-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.52
Rot. Bonds7

About N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 25381055) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID25381055
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C14H17N5OS/c1-2-18(8-9-19-7-4-6-15-19)11-13-16-14(17-20-13)12-5-3-10-21-12/h3-7,10H,2,8-9,11H2,1H3
InChIKeyPSAHGGLPCUYZLF-UHFFFAOYSA-N
XLogP2.52
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 25381055) is N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCN(CCn1cccn1)Cc1nc(-c2cccs2)no1.
What is the InChIKey of N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is PSAHGGLPCUYZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-18(8-9-19-7-4-6-15-19)11-13-16-14(17-20-13)12-5-3-10-21-12/h3-7,10H,2,8-9,11H2,1H3.
What are the key properties of N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 303.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 25381055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).