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

C13H19N5O — CID 102811165

IUPAC1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCc1nn(C)cc1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C13H19N5O/c1-3-10-9(8-18(2)16-10)11-15-12(17-19-11)13(14)6-4-5-7-13/h8H,3-7,14H2,1-2H3
InChIKeyZCRGGSHSUDDPCN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.76
Rot. Bonds3

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

1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 102811165) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID102811165
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCc1nn(C)cc1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C13H19N5O/c1-3-10-9(8-18(2)16-10)11-15-12(17-19-11)13(14)6-4-5-7-13/h8H,3-7,14H2,1-2H3
InChIKeyZCRGGSHSUDDPCN-UHFFFAOYSA-N
XLogP1.76
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 102811165) is 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CCc1nn(C)cc1-c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is ZCRGGSHSUDDPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-10-9(8-18(2)16-10)11-15-12(17-19-11)13(14)6-4-5-7-13/h8H,3-7,14H2,1-2H3.
What are the key properties of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 102811165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).