(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone

C15H17BrN2O — CID 114639043

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(Br)cnn2C(C)C)cc1
InChIInChI=1S/C15H17BrN2O/c1-4-11-5-7-12(8-6-11)15(19)14-13(16)9-17-18(14)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZBRGEDZPBKKPEE-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.02
Rot. Bonds4

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone (PubChem CID 114639043) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
PubChem CID114639043
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(Br)cnn2C(C)C)cc1
InChIInChI=1S/C15H17BrN2O/c1-4-11-5-7-12(8-6-11)15(19)14-13(16)9-17-18(14)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZBRGEDZPBKKPEE-UHFFFAOYSA-N
XLogP4.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
CID 115805217
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796
(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639812
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
2-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670308
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114671097
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105130816
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-iodothiophen-3-yl)methanone
CID 115805479
3-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114668506
2-(aminomethyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114669454
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(propylamino)ethanone
CID 114668866

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone (CID 114639043) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2c(Br)cnn2C(C)C)cc1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone?
The InChIKey is ZBRGEDZPBKKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-4-11-5-7-12(8-6-11)15(19)14-13(16)9-17-18(14)10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone has a molecular weight of 321.22 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 114639043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).