N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

C18H23F3IN5O — CID 111083834

IUPACN'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1cc(C)n(-c2ccc(C/N=C(\N)N3CCOCC3)c(C(F)(F)F)c2)n1.I
InChIInChI=1S/C18H22F3N5O.HI/c1-12-9-13(2)26(24-12)15-4-3-14(16(10-15)18(19,20)21)11-23-17(22)25-5-7-27-8-6-25;/h3-4,9-10H,5-8,11H2,1-2H3,(H2,22,23);1H
InChIKeyJRFOSLBSNARCLV-UHFFFAOYSA-N
MW509.31 g/mol
LogP3.27
Rot. Bonds3

About N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111083834) has the molecular formula C18H23F3IN5O and a molecular weight of 509.31 g/mol. Its IUPAC name is N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111083834
Molecular FormulaC18H23F3IN5O
Molecular Weight509.31 g/mol
Exact Mass509.09
IUPAC NameN'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1cc(C)n(-c2ccc(C/N=C(\N)N3CCOCC3)c(C(F)(F)F)c2)n1.I
InChIInChI=1S/C18H22F3N5O.HI/c1-12-9-13(2)26(24-12)15-4-3-14(16(10-15)18(19,20)21)11-23-17(22)25-5-7-27-8-6-25;/h3-4,9-10H,5-8,11H2,1-2H3,(H2,22,23);1H
InChIKeyJRFOSLBSNARCLV-UHFFFAOYSA-N
XLogP3.27
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide 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'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 111083834) is N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is Cc1cc(C)n(-c2ccc(C/N=C(\N)N3CCOCC3)c(C(F)(F)F)c2)n1.I.
What is the InChIKey of N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is JRFOSLBSNARCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O.HI/c1-12-9-13(2)26(24-12)15-4-3-14(16(10-15)18(19,20)21)11-23-17(22)25-5-7-27-8-6-25;/h3-4,9-10H,5-8,11H2,1-2H3,(H2,22,23);1H.
What are the key properties of N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 509.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111083834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).