(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone

C13H11Br2FN2O — CID 114894379

IUPAC(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H11Br2FN2O/c1-2-5-18-12(10(15)7-17-18)13(19)9-6-8(14)3-4-11(9)16/h3-4,6-7H,2,5H2,1H3
InChIKeyQFDNXTQKRYUEDB-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.19
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone

(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone (PubChem CID 114894379) has the molecular formula C13H11Br2FN2O and a molecular weight of 390.05 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
PubChem CID114894379
Molecular FormulaC13H11Br2FN2O
Molecular Weight390.05 g/mol
Exact Mass387.92
IUPAC Name(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H11Br2FN2O/c1-2-5-18-12(10(15)7-17-18)13(19)9-6-8(14)3-4-11(9)16/h3-4,6-7H,2,5H2,1H3
InChIKeyQFDNXTQKRYUEDB-UHFFFAOYSA-N
XLogP4.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114905769
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
CID 115804636
2-(4-bromophenyl)sulfanyl-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114640903
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone (CID 114894379) is (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Br)c1C(=O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
The InChIKey is QFDNXTQKRYUEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O/c1-2-5-18-12(10(15)7-17-18)13(19)9-6-8(14)3-4-11(9)16/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone has a molecular weight of 390.05 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114894379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).