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

C5H4BrF3IN3 — CID 163420683

IUPAC4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(Br)c1NI
InChIInChI=1S/C5H4BrF3IN3/c1-13-4(11-10)2(6)3(12-13)5(7,8)9/h11H,1H3
InChIKeyAIDYZRIOILVSAX-UHFFFAOYSA-N
MW369.91 g/mol
LogP2.96
Rot. Bonds1

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

4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 163420683) has the molecular formula C5H4BrF3IN3 and a molecular weight of 369.91 g/mol. Its IUPAC name is 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID163420683
Molecular FormulaC5H4BrF3IN3
Molecular Weight369.91 g/mol
Exact Mass368.86
IUPAC Name4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(Br)c1NI
InChIInChI=1S/C5H4BrF3IN3/c1-13-4(11-10)2(6)3(12-13)5(7,8)9/h11H,1H3
InChIKeyAIDYZRIOILVSAX-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.91
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1,5-dimethyl-1H-pyrazol-3-amine
CID 19619860
4-Bromo-1,3-dimethyl-1H-pyrazol-5-amine
CID 605717
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
3-(difluoromethyl)-4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 149745032
4-Bromo-1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 19619861
4-Bromo-2-methyl-5-trifluoromethyl-2H-pyrazol-3-ylamine
CID 56604764
4-Bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 83825100
4-Fluoro-1,3-dimethyl-1H-pyrazol-5-amine
CID 86126002
4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 97182143
4-fluoro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 151288474
CID 163991906
CID 163991906
4-Bromo-1-(2-fluoroethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 176384998

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 163420683) is 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)c(Br)c1NI.
What is the InChIKey of 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is AIDYZRIOILVSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3IN3/c1-13-4(11-10)2(6)3(12-13)5(7,8)9/h11H,1H3.
What are the key properties of 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 369.91 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 163420683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).