[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine

C11H9BrF3N3 — CID 66440508

IUPAC[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2cccc(Br)c2)c1C(F)(F)F
InChIInChI=1S/C11H9BrF3N3/c12-8-2-1-3-9(4-8)18-10(11(13,14)15)7(5-16)6-17-18/h1-4,6H,5,16H2
InChIKeyKYQUEFLHEMPMBJ-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.11
Rot. Bonds2

About [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 66440508) has the molecular formula C11H9BrF3N3 and a molecular weight of 320.11 g/mol. Its IUPAC name is [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID66440508
Molecular FormulaC11H9BrF3N3
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2cccc(Br)c2)c1C(F)(F)F
InChIInChI=1S/C11H9BrF3N3/c12-8-2-1-3-9(4-8)18-10(11(13,14)15)7(5-16)6-17-18/h1-4,6H,5,16H2
InChIKeyKYQUEFLHEMPMBJ-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6484139
(1-phenyl-1H-pyrazol-4-yl)methanamine
CID 4327684
1-(3-Bromo-phenyl)-1H-pyrazole
CID 7127804
1-(3-bromophenyl)-5-methyl-1H-pyrazole
CID 53415542
[3-[3-(Trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 63941712
1-(4-Bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545295
4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 10968260
4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 29078491
1-(4-Bromophenyl)-1H-pyrazole-4-carbonitrile
CID 56956195
{1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}methanamine
CID 68516763
5-bromo-1-(4-fluorophenyl)-1H-pyrazole
CID 71758080
3-(4-bromo-2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 9978021

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 66440508) is [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine is NCc1cnn(-c2cccc(Br)c2)c1C(F)(F)F.
What is the InChIKey of [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is KYQUEFLHEMPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3/c12-8-2-1-3-9(4-8)18-10(11(13,14)15)7(5-16)6-17-18/h1-4,6H,5,16H2.
What are the key properties of [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 320.11 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66440508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).