N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide

C13H20N6O — CID 123692084

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCOCC1
InChIInChI=1S/C13H20N6O/c14-11(8-12(15)19-3-5-20-6-4-19)16-13-7-10(17-18-13)9-1-2-9/h7,9,15H,1-6,8H2,(H3,14,16,17,18)/b15-12+
InChIKeyIIFKJTOPTFYIKY-NTCAYCPXSA-N
MW276.34 g/mol
LogP0.98
Rot. Bonds4

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide (PubChem CID 123692084) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide
PubChem CID123692084
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCOCC1
InChIInChI=1S/C13H20N6O/c14-11(8-12(15)19-3-5-20-6-4-19)16-13-7-10(17-18-13)9-1-2-9/h7,9,15H,1-6,8H2,(H3,14,16,17,18)/b15-12+
InChIKeyIIFKJTOPTFYIKY-NTCAYCPXSA-N
XLogP0.98
TPSA103.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide 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'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide (CID 123692084) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCOCC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide?
The InChIKey is IIFKJTOPTFYIKY-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H20N6O/c14-11(8-12(15)19-3-5-20-6-4-19)16-13-7-10(17-18-13)9-1-2-9/h7,9,15H,1-6,8H2,(H3,14,16,17,18)/b15-12+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide has a molecular weight of 276.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-morpholin-4-ylpropanimidamide is sourced from PubChem (CID 123692084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).