N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide

C15H17F3IN5O — CID 4769072

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1
InChIInChI=1S/C15H17F3IN5O/c1-23-8-10(19)13(22-23)14(25)20-5-2-6-24-11(9-3-4-9)7-12(21-24)15(16,17)18/h7-9H,2-6H2,1H3,(H,20,25)
InChIKeyGASHZRHQTUMAOX-UHFFFAOYSA-N
MW467.23 g/mol
LogP2.94
Rot. Bonds6

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 4769072) has the molecular formula C15H17F3IN5O and a molecular weight of 467.23 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID4769072
Molecular FormulaC15H17F3IN5O
Molecular Weight467.23 g/mol
Exact Mass467.04
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1
InChIInChI=1S/C15H17F3IN5O/c1-23-8-10(19)13(22-23)14(25)20-5-2-6-24-11(9-3-4-9)7-12(21-24)15(16,17)18/h7-9H,2-6H2,1H3,(H,20,25)
InChIKeyGASHZRHQTUMAOX-UHFFFAOYSA-N
XLogP2.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide 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-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide (CID 4769072) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is GASHZRHQTUMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3IN5O/c1-23-8-10(19)13(22-23)14(25)20-5-2-6-24-11(9-3-4-9)7-12(21-24)15(16,17)18/h7-9H,2-6H2,1H3,(H,20,25).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 467.23 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4769072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).