4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C8H7F3IN5 — CID 171789491

IUPAC4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)c(I)c2N)n1
InChIInChI=1S/C8H7F3IN5/c1-16-3-2-4(14-16)17-7(13)5(12)6(15-17)8(9,10)11/h2-3H,13H2,1H3
InChIKeyJGIOQKTYCRCLGJ-UHFFFAOYSA-N
MW357.08 g/mol
LogP1.81
Rot. Bonds1

About 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789491) has the molecular formula C8H7F3IN5 and a molecular weight of 357.08 g/mol. Its IUPAC name is 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789491
Molecular FormulaC8H7F3IN5
Molecular Weight357.08 g/mol
Exact Mass356.97
IUPAC Name4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)c(I)c2N)n1
InChIInChI=1S/C8H7F3IN5/c1-16-3-2-4(14-16)17-7(13)5(12)6(15-17)8(9,10)11/h2-3H,13H2,1H3
InChIKeyJGIOQKTYCRCLGJ-UHFFFAOYSA-N
XLogP1.81
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.08
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 171789491) is 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is Cn1ccc(-n2nc(C(F)(F)F)c(I)c2N)n1.
What is the InChIKey of 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is JGIOQKTYCRCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3IN5/c1-16-3-2-4(14-16)17-7(13)5(12)6(15-17)8(9,10)11/h2-3H,13H2,1H3.
What are the key properties of 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 357.08 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).