4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C14H9BrF3N5 — CID 24849170

IUPAC4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C14H9BrF3N5/c15-9-4-2-8(3-5-9)10-11(14(16,17)18)22-23(12(10)19)13-20-6-1-7-21-13/h1-7H,19H2
InChIKeyQVEGBHOSNIENCW-UHFFFAOYSA-N
MW384.16 g/mol
LogP3.69
Rot. Bonds2

About 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 24849170) has the molecular formula C14H9BrF3N5 and a molecular weight of 384.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID24849170
Molecular FormulaC14H9BrF3N5
Molecular Weight384.16 g/mol
Exact Mass383.00
IUPAC Name4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C14H9BrF3N5/c15-9-4-2-8(3-5-9)10-11(14(16,17)18)22-23(12(10)19)13-20-6-1-7-21-13/h1-7H,19H2
InChIKeyQVEGBHOSNIENCW-UHFFFAOYSA-N
XLogP3.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.16
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 24849170) is 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Nc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1ncccn1.
What is the InChIKey of 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is QVEGBHOSNIENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N5/c15-9-4-2-8(3-5-9)10-11(14(16,17)18)22-23(12(10)19)13-20-6-1-7-21-13/h1-7H,19H2.
What are the key properties of 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 384.16 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 24849170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).