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

C13H11Br2ClN2O — CID 115804548

IUPAC(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H11Br2ClN2O/c1-2-5-18-12(10(15)7-17-18)13(19)9-4-3-8(14)6-11(9)16/h3-4,6-7H,2,5H2,1H3
InChIKeyFVNXTOCCSUUSCG-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.70
Rot. Bonds4

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

(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone (PubChem CID 115804548) has the molecular formula C13H11Br2ClN2O and a molecular weight of 406.51 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
PubChem CID115804548
Molecular FormulaC13H11Br2ClN2O
Molecular Weight406.51 g/mol
Exact Mass403.89
IUPAC Name(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H11Br2ClN2O/c1-2-5-18-12(10(15)7-17-18)13(19)9-4-3-8(14)6-11(9)16/h3-4,6-7H,2,5H2,1H3
InChIKeyFVNXTOCCSUUSCG-UHFFFAOYSA-N
XLogP4.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
CID 115804636
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114905769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone (CID 115804548) is (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Br)c1C(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
The InChIKey is FVNXTOCCSUUSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O/c1-2-5-18-12(10(15)7-17-18)13(19)9-4-3-8(14)6-11(9)16/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone?
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone has a molecular weight of 406.51 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 115804548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).