4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

C5H5F3IN3 — CID 97182143

IUPAC4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(I)c1N
InChIInChI=1S/C5H5F3IN3/c1-12-4(10)2(9)3(11-12)5(6,7)8/h10H2,1H3
InChIKeyJNRHBCFTEHGARX-UHFFFAOYSA-N
MW291.01 g/mol
LogP1.63
Rot. Bonds

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

4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 97182143) has the molecular formula C5H5F3IN3 and a molecular weight of 291.01 g/mol. Its IUPAC name is 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID97182143
Molecular FormulaC5H5F3IN3
Molecular Weight291.01 g/mol
Exact Mass290.95
IUPAC Name4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(I)c1N
InChIInChI=1S/C5H5F3IN3/c1-12-4(10)2(9)3(11-12)5(6,7)8/h10H2,1H3
InChIKeyJNRHBCFTEHGARX-UHFFFAOYSA-N
XLogP1.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.01
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 97182143) is 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)c(I)c1N.
What is the InChIKey of 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is JNRHBCFTEHGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3IN3/c1-12-4(10)2(9)3(11-12)5(6,7)8/h10H2,1H3.
What are the key properties of 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 291.01 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 97182143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).