1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide

C17H19IN2 — CID 12785925

IUPAC1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide
SMILESCN1C(c2ccccc2)CC(c2ccccc2)=[N+]1C.[I-]
InChIInChI=1S/C17H19N2.HI/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H/q+1;/p-1
InChIKeyJYOPRYYUOJXGBP-UHFFFAOYSA-M
MW378.26 g/mol
LogP0.11
Rot. Bonds2

About 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide

1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide (PubChem CID 12785925) has the molecular formula C17H19IN2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide.

Molecular Properties

Compound Name1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide
PubChem CID12785925
Molecular FormulaC17H19IN2
Molecular Weight378.26 g/mol
Exact Mass378.06
IUPAC Name1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide
SMILESCN1C(c2ccccc2)CC(c2ccccc2)=[N+]1C.[I-]
InChIInChI=1S/C17H19N2.HI/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H/q+1;/p-1
InChIKeyJYOPRYYUOJXGBP-UHFFFAOYSA-M
XLogP0.11
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide?
The IUPAC name of 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide (CID 12785925) is 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide.
What is the SMILES notation for 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide?
The canonical SMILES for 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide is CN1C(c2ccccc2)CC(c2ccccc2)=[N+]1C.[I-].
What is the InChIKey of 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide?
The InChIKey is JYOPRYYUOJXGBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19N2.HI/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide?
1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide has a molecular weight of 378.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,5-diphenyl-3,4-dihydropyrazol-1-ium iodide is sourced from PubChem (CID 12785925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).