4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

C17H13BrF3N3 — CID 100560964

IUPAC4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2N)cc1
InChIInChI=1S/C17H13BrF3N3/c1-10-2-8-13(9-3-10)24-16(22)14(15(23-24)17(19,20)21)11-4-6-12(18)7-5-11/h2-9H,22H2,1H3
InChIKeyYWQRWORENYUEIR-UHFFFAOYSA-N
MW396.21 g/mol
LogP5.21
Rot. Bonds2

About 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 100560964) has the molecular formula C17H13BrF3N3 and a molecular weight of 396.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID100560964
Molecular FormulaC17H13BrF3N3
Molecular Weight396.21 g/mol
Exact Mass395.02
IUPAC Name4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2N)cc1
InChIInChI=1S/C17H13BrF3N3/c1-10-2-8-13(9-3-10)24-16(22)14(15(23-24)17(19,20)21)11-4-6-12(18)7-5-11/h2-9H,22H2,1H3
InChIKeyYWQRWORENYUEIR-UHFFFAOYSA-N
XLogP5.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.21
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 24849170
4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560606
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 169097295
4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100560928
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 171789540
4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560803
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
CID 17381507
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 100560964) is 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2N)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is YWQRWORENYUEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3/c1-10-2-8-13(9-3-10)24-16(22)14(15(23-24)17(19,20)21)11-4-6-12(18)7-5-11/h2-9H,22H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 396.21 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 100560964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).