4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

C17H10BrF6N3 — CID 100560928

IUPAC4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10BrF6N3/c18-11-5-1-3-9(7-11)13-14(17(22,23)24)26-27(15(13)25)12-6-2-4-10(8-12)16(19,20)21/h1-8H,25H2
InChIKeyUAAWWDYOHUWFKF-UHFFFAOYSA-N
MW450.18 g/mol
LogP5.92
Rot. Bonds2

About 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 100560928) has the molecular formula C17H10BrF6N3 and a molecular weight of 450.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID100560928
Molecular FormulaC17H10BrF6N3
Molecular Weight450.18 g/mol
Exact Mass449.00
IUPAC Name4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10BrF6N3/c18-11-5-1-3-9(7-11)13-14(17(22,23)24)26-27(15(13)25)12-6-2-4-10(8-12)16(19,20)21/h1-8H,25H2
InChIKeyUAAWWDYOHUWFKF-UHFFFAOYSA-N
XLogP5.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.18
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 171789512
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 129247785
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 24849170
1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66440827
4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560803
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 100560928) is 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Nc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is UAAWWDYOHUWFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF6N3/c18-11-5-1-3-9(7-11)13-14(17(22,23)24)26-27(15(13)25)12-6-2-4-10(8-12)16(19,20)21/h1-8H,25H2.
What are the key properties of 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 450.18 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 100560928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).