(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone

C17H21BrN2O — CID 115804503

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21BrN2O/c1-5-10-20-15(14(18)11-19-20)16(21)12-6-8-13(9-7-12)17(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyGQYMVXNSTIPPSW-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.58
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone (PubChem CID 115804503) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
PubChem CID115804503
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21BrN2O/c1-5-10-20-15(14(18)11-19-20)16(21)12-6-8-13(9-7-12)17(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyGQYMVXNSTIPPSW-UHFFFAOYSA-N
XLogP4.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)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-(trifluoromethyl)phenyl]methanone
CID 115804628
(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-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
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-methylbutan-1-one
CID 114642645
(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
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
CID 114642631
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone (CID 115804503) is (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone is CCCn1ncc(Br)c1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone?
The InChIKey is GQYMVXNSTIPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-5-10-20-15(14(18)11-19-20)16(21)12-6-8-13(9-7-12)17(2,3)4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone has a molecular weight of 349.27 g/mol, XLogP of 4.58, 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-tert-butylphenyl)methanone is sourced from PubChem (CID 115804503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).