1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide

C18H23IN2 — CID 173456606

IUPAC1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide
SMILESCc1cccc(C2CC(c3ccccc3)N(C)N2C)c1.I
InChIInChI=1S/C18H22N2.HI/c1-14-8-7-11-16(12-14)18-13-17(19(2)20(18)3)15-9-5-4-6-10-15;/h4-12,17-18H,13H2,1-3H3;1H
InChIKeyJENPONVCOIRJLT-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.58
Rot. Bonds2

About 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide

1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide (PubChem CID 173456606) has the molecular formula C18H23IN2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide
PubChem CID173456606
Molecular FormulaC18H23IN2
Molecular Weight394.30 g/mol
Exact Mass394.09
IUPAC Name1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide
SMILESCc1cccc(C2CC(c3ccccc3)N(C)N2C)c1.I
InChIInChI=1S/C18H22N2.HI/c1-14-8-7-11-16(12-14)18-13-17(19(2)20(18)3)15-9-5-4-6-10-15;/h4-12,17-18H,13H2,1-3H3;1H
InChIKeyJENPONVCOIRJLT-UHFFFAOYSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide (CID 173456606) is 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide is Cc1cccc(C2CC(c3ccccc3)N(C)N2C)c1.I.
What is the InChIKey of 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide?
The InChIKey is JENPONVCOIRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.HI/c1-14-8-7-11-16(12-14)18-13-17(19(2)20(18)3)15-9-5-4-6-10-15;/h4-12,17-18H,13H2,1-3H3;1H.
What are the key properties of 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide?
1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide has a molecular weight of 394.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide is sourced from PubChem (CID 173456606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).