(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

C14H12BrF3N2O — CID 115804628

IUPAC(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12BrF3N2O/c1-2-7-20-12(11(15)8-19-20)13(21)9-3-5-10(6-4-9)14(16,17)18/h3-6,8H,2,7H2,1H3
InChIKeyZNOZWNHZHXRWBA-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.31
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 115804628) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID115804628
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12BrF3N2O/c1-2-7-20-12(11(15)8-19-20)13(21)9-3-5-10(6-4-9)14(16,17)18/h3-6,8H,2,7H2,1H3
InChIKeyZNOZWNHZHXRWBA-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone 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-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
CID 115804705
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 114638877
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 57229861
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromophenyl)methanone
CID 114638819
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 115804628) is (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is CCCn1ncc(Br)c1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZNOZWNHZHXRWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c1-2-7-20-12(11(15)8-19-20)13(21)9-3-5-10(6-4-9)14(16,17)18/h3-6,8H,2,7H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 361.16 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 115804628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).