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

C4H3F3IN3 — CID 91666192

IUPAC4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C4H3F3IN3/c5-4(6,7)2-1(8)3(9)11-10-2/h(H3,9,10,11)
InChIKeyPFIWEBUMDNNWAF-UHFFFAOYSA-N
MW276.99 g/mol
LogP1.62
Rot. Bonds

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

4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 91666192) has the molecular formula C4H3F3IN3 and a molecular weight of 276.99 g/mol. Its IUPAC name is 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID91666192
Molecular FormulaC4H3F3IN3
Molecular Weight276.99 g/mol
Exact Mass276.93
IUPAC Name4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C4H3F3IN3/c5-4(6,7)2-1(8)3(9)11-10-2/h(H3,9,10,11)
InChIKeyPFIWEBUMDNNWAF-UHFFFAOYSA-N
XLogP1.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.99
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 25247475
4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 11480632
4-Fluoro-3-methyl-1H-pyrazol-5-amine
CID 118886597
4-fluoro-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 140300782
4-Chloro-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 83906973
4-iodo-3-nitro-5-(trifluoromethyl)-1H-pyrazole
CID 136175564
4-Iodo-5-methyl-1H-pyrazol-3-amine
CID 12831627
5-amino-4-iodo-1H-pyrazole-3-carbonitrile
CID 171157540

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 91666192) is 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C(F)(F)F)c1I.
What is the InChIKey of 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is PFIWEBUMDNNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3IN3/c5-4(6,7)2-1(8)3(9)11-10-2/h(H3,9,10,11).
What are the key properties of 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 276.99 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 91666192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).