1-(2-fluoro-5-iodophenyl)pyrazol-4-amine

C9H7FIN3 — CID 130121289

IUPAC1-(2-fluoro-5-iodophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2cc(I)ccc2F)c1
InChIInChI=1S/C9H7FIN3/c10-8-2-1-6(11)3-9(8)14-5-7(12)4-13-14/h1-5H,12H2
InChIKeyCDQATHRIXOEQHQ-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.20
Rot. Bonds1

About 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine

1-(2-fluoro-5-iodophenyl)pyrazol-4-amine (PubChem CID 130121289) has the molecular formula C9H7FIN3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-iodophenyl)pyrazol-4-amine
PubChem CID130121289
Molecular FormulaC9H7FIN3
Molecular Weight303.08 g/mol
Exact Mass302.97
IUPAC Name1-(2-fluoro-5-iodophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2cc(I)ccc2F)c1
InChIInChI=1S/C9H7FIN3/c10-8-2-1-6(11)3-9(8)14-5-7(12)4-13-14/h1-5H,12H2
InChIKeyCDQATHRIXOEQHQ-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.20
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

5-iodo-2-(4-iodopyrazol-1-yl)aniline
CID 66081147
3-iodo-4-(4-iodopyrazol-1-yl)aniline
CID 66092961
5-fluoro-4-(4-iodopyrazol-1-yl)-2-methoxyaniline
CID 107259740
1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
CID 153285852
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine
CID 84712527
1-(5-chloro-2-pyridinyl)pyrazol-4-amine
CID 61174852
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
1-(6-fluoro-2-pyridinyl)pyrazol-4-amine
CID 172992402
2-fluoro-6-(4-iodopyrazol-1-yl)benzamide
CID 79522502
2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile
CID 114895156
4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline
CID 116736353

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine (CID 130121289) is 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine is Nc1cnn(-c2cc(I)ccc2F)c1.
What is the InChIKey of 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine?
The InChIKey is CDQATHRIXOEQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FIN3/c10-8-2-1-6(11)3-9(8)14-5-7(12)4-13-14/h1-5H,12H2.
What are the key properties of 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine?
1-(2-fluoro-5-iodophenyl)pyrazol-4-amine has a molecular weight of 303.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-iodophenyl)pyrazol-4-amine is sourced from PubChem (CID 130121289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).