4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline

C13H13BrF3N3 — CID 65485763

IUPAC4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline
SMILESCC(Cn1cccn1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c1-9(8-20-6-2-5-18-20)19-12-4-3-10(14)7-11(12)13(15,16)17/h2-7,9,19H,8H2,1H3
InChIKeyGMBOVLUIYCCSRP-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.16
Rot. Bonds4

About 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline

4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline (PubChem CID 65485763) has the molecular formula C13H13BrF3N3 and a molecular weight of 348.17 g/mol. Its IUPAC name is 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline
PubChem CID65485763
Molecular FormulaC13H13BrF3N3
Molecular Weight348.17 g/mol
Exact Mass347.02
IUPAC Name4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline
SMILESCC(Cn1cccn1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c1-9(8-20-6-2-5-18-20)19-12-4-3-10(14)7-11(12)13(15,16)17/h2-7,9,19H,8H2,1H3
InChIKeyGMBOVLUIYCCSRP-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline 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

4-(1-pyrazol-1-ylpropan-2-ylamino)-2-(trifluoromethyl)benzonitrile
CID 61461152
4-bromo-N-(6,6,6-trifluorohexan-2-yl)-2-(trifluoromethyl)aniline
CID 116534532
5-fluoro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 63672825
3-[4-bromo-2-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77027358
2,3-difluoro-4-(1-pyrazol-1-ylpropan-2-ylamino)benzonitrile
CID 107933491
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 82774489
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 64623057
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 100738050
5-bromo-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79718486
3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 106875596
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline (CID 65485763) is 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline is CC(Cn1cccn1)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
The InChIKey is GMBOVLUIYCCSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3/c1-9(8-20-6-2-5-18-20)19-12-4-3-10(14)7-11(12)13(15,16)17/h2-7,9,19H,8H2,1H3.
What are the key properties of 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline has a molecular weight of 348.17 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 65485763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).