N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine

C14H21N5O — CID 43648108

IUPACN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nnc(Cn2nc(C)c(CNC3CC3)c2C)o1
InChIInChI=1S/C14H21N5O/c1-4-13-16-17-14(20-13)8-19-10(3)12(9(2)18-19)7-15-11-5-6-11/h11,15H,4-8H2,1-3H3
InChIKeyWCKKJUVSXOLJDW-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.75
Rot. Bonds6

About N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 43648108) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID43648108
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nnc(Cn2nc(C)c(CNC3CC3)c2C)o1
InChIInChI=1S/C14H21N5O/c1-4-13-16-17-14(20-13)8-19-10(3)12(9(2)18-19)7-15-11-5-6-11/h11,15H,4-8H2,1-3H3
InChIKeyWCKKJUVSXOLJDW-UHFFFAOYSA-N
XLogP1.75
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]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-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine (CID 43648108) is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine is CCc1nnc(Cn2nc(C)c(CNC3CC3)c2C)o1.
What is the InChIKey of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WCKKJUVSXOLJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-13-16-17-14(20-13)8-19-10(3)12(9(2)18-19)7-15-11-5-6-11/h11,15H,4-8H2,1-3H3.
What are the key properties of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 275.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43648108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).