3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine

C14H13BrF3N3 — CID 150906140

IUPAC3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1C(C1CC1)C(F)(F)F
InChIInChI=1S/C14H13BrF3N3/c15-10-5-3-8(4-6-10)11-7-12(19)21(20-11)13(9-1-2-9)14(16,17)18/h3-7,9,13H,1-2,19H2
InChIKeyLBADJYVWPFJSFK-UHFFFAOYSA-N
MW360.18 g/mol
LogP4.41
Rot. Bonds3

About 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine

3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 150906140) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID150906140
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1C(C1CC1)C(F)(F)F
InChIInChI=1S/C14H13BrF3N3/c15-10-5-3-8(4-6-10)11-7-12(19)21(20-11)13(9-1-2-9)14(16,17)18/h3-7,9,13H,1-2,19H2
InChIKeyLBADJYVWPFJSFK-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)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

3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine
CID 151356653
5-amino-3-(4-bromophenyl)pyrazole-1-carbothioamide
CID 121216031
3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine
CID 61271897
3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane
CID 175321442
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine
CID 61271886
1-propan-2-yl-3-pyridin-4-ylpyrazol-5-amine
CID 67496076
3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine
CID 43436012
4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]aniline
CID 89018490
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
4-(4-bromophenyl)-1-[difluoro(iodo)methyl]imidazole
CID 156762899
1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine
CID 126457155

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine (CID 150906140) is 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1C(C1CC1)C(F)(F)F.
What is the InChIKey of 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is LBADJYVWPFJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c15-10-5-3-8(4-6-10)11-7-12(19)21(20-11)13(9-1-2-9)14(16,17)18/h3-7,9,13H,1-2,19H2.
What are the key properties of 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine?
3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 360.18 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 150906140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).