3-(4-iodophenyl)-1-phenylpyrazol-5-amine

C15H12IN3 — CID 43336728

IUPAC3-(4-iodophenyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccc(I)cc2)nn1-c1ccccc1
InChIInChI=1S/C15H12IN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2
InChIKeyFLXQDKZROUTIQQ-UHFFFAOYSA-N
MW361.19 g/mol
LogP3.73
Rot. Bonds2

About 3-(4-iodophenyl)-1-phenylpyrazol-5-amine

3-(4-iodophenyl)-1-phenylpyrazol-5-amine (PubChem CID 43336728) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-1-phenylpyrazol-5-amine
PubChem CID43336728
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC Name3-(4-iodophenyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccc(I)cc2)nn1-c1ccccc1
InChIInChI=1S/C15H12IN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2
InChIKeyFLXQDKZROUTIQQ-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
CID 63210180
3-(3,5-dichlorophenyl)-1-phenylpyrazol-5-amine
CID 43336748
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
3-(furan-3-yl)-1-phenylpyrazol-5-amine
CID 43158974
3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine
CID 107988579
3-(3-chloro-4-methylphenyl)-1-phenylpyrazol-5-amine
CID 63195160
3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine
CID 104785958
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 71040961
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 43542633
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 1478026
3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine
CID 43436012

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(4-iodophenyl)-1-phenylpyrazol-5-amine (CID 43336728) is 3-(4-iodophenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4-iodophenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4-iodophenyl)-1-phenylpyrazol-5-amine is Nc1cc(-c2ccc(I)cc2)nn1-c1ccccc1.
What is the InChIKey of 3-(4-iodophenyl)-1-phenylpyrazol-5-amine?
The InChIKey is FLXQDKZROUTIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2.
What are the key properties of 3-(4-iodophenyl)-1-phenylpyrazol-5-amine?
3-(4-iodophenyl)-1-phenylpyrazol-5-amine has a molecular weight of 361.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 43336728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).