4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine

C11H7BrCl2F3N3 — CID 18929399

IUPAC4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(Br)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H7BrCl2F3N3/c1-20-9(8(12)10(18)19-20)7-5(13)2-4(3-6(7)14)11(15,16)17/h2-3H,1H3,(H2,18,19)
InChIKeyIOICMTOTSNKCTF-UHFFFAOYSA-N
MW389.00 g/mol
LogP4.76
Rot. Bonds1

About 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine

4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine (PubChem CID 18929399) has the molecular formula C11H7BrCl2F3N3 and a molecular weight of 389.00 g/mol. Its IUPAC name is 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
PubChem CID18929399
Molecular FormulaC11H7BrCl2F3N3
Molecular Weight389.00 g/mol
Exact Mass386.92
IUPAC Name4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(Br)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H7BrCl2F3N3/c1-20-9(8(12)10(18)19-20)7-5(13)2-4(3-6(7)14)11(15,16)17/h2-3H,1H3,(H2,18,19)
InChIKeyIOICMTOTSNKCTF-UHFFFAOYSA-N
XLogP4.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.00
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine (CID 18929399) is 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine is Cn1nc(N)c(Br)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
The InChIKey is IOICMTOTSNKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2F3N3/c1-20-9(8(12)10(18)19-20)7-5(13)2-4(3-6(7)14)11(15,16)17/h2-3H,1H3,(H2,18,19).
What are the key properties of 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine has a molecular weight of 389.00 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 18929399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).