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

C10H7BrF3N3 — CID 66440827

IUPAC1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccc(Br)c2)c1C(F)(F)F
InChIInChI=1S/C10H7BrF3N3/c11-6-2-1-3-7(4-6)17-9(10(12,13)14)8(15)5-16-17/h1-5H,15H2
InChIKeyDRNCRDCBRWSPSE-UHFFFAOYSA-N
MW306.09 g/mol
LogP3.24
Rot. Bonds1

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

1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 66440827) has the molecular formula C10H7BrF3N3 and a molecular weight of 306.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID66440827
Molecular FormulaC10H7BrF3N3
Molecular Weight306.09 g/mol
Exact Mass304.98
IUPAC Name1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccc(Br)c2)c1C(F)(F)F
InChIInChI=1S/C10H7BrF3N3/c11-6-2-1-3-7(4-6)17-9(10(12,13)14)8(15)5-16-17/h1-5H,15H2
InChIKeyDRNCRDCBRWSPSE-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine (CID 66440827) is 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine is Nc1cnn(-c2cccc(Br)c2)c1C(F)(F)F.
What is the InChIKey of 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is DRNCRDCBRWSPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3/c11-6-2-1-3-7(4-6)17-9(10(12,13)14)8(15)5-16-17/h1-5H,15H2.
What are the key properties of 1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 306.09 g/mol, XLogP of 3.24, 1 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-amine is sourced from PubChem (CID 66440827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).