N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C11H15N5O — CID 55180382

IUPACN-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESc1cc(-c2nnc(CCCNC3CC3)o2)[nH]n1
InChIInChI=1S/C11H15N5O/c1(6-12-8-3-4-8)2-10-15-16-11(17-10)9-5-7-13-14-9/h5,7-8,12H,1-4,6H2,(H,13,14)
InChIKeyHRPDRQDBGGJHOS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.14
Rot. Bonds6

About N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 55180382) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID55180382
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESc1cc(-c2nnc(CCCNC3CC3)o2)[nH]n1
InChIInChI=1S/C11H15N5O/c1(6-12-8-3-4-8)2-10-15-16-11(17-10)9-5-7-13-14-9/h5,7-8,12H,1-4,6H2,(H,13,14)
InChIKeyHRPDRQDBGGJHOS-UHFFFAOYSA-N
XLogP1.14
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine 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 N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 55180382) is N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is c1cc(-c2nnc(CCCNC3CC3)o2)[nH]n1.
What is the InChIKey of N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is HRPDRQDBGGJHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1(6-12-8-3-4-8)2-10-15-16-11(17-10)9-5-7-13-14-9/h5,7-8,12H,1-4,6H2,(H,13,14).
What are the key properties of N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 233.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 55180382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).