(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone

C12H9Br2ClN2O — CID 114642070

IUPAC(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O/c1-2-17-11(9(14)6-16-17)12(18)7-3-4-10(15)8(13)5-7/h3-6H,2H2,1H3
InChIKeyKJGSROOPFIIVQV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.31
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone

(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone (PubChem CID 114642070) has the molecular formula C12H9Br2ClN2O and a molecular weight of 392.48 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
PubChem CID114642070
Molecular FormulaC12H9Br2ClN2O
Molecular Weight392.48 g/mol
Exact Mass389.88
IUPAC Name(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O/c1-2-17-11(9(14)6-16-17)12(18)7-3-4-10(15)8(13)5-7/h3-6H,2H2,1H3
InChIKeyKJGSROOPFIIVQV-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 114638877
(4-bromo-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114671096
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-amino-3-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669776

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone (CID 114642070) is (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Br)c1C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The InChIKey is KJGSROOPFIIVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O/c1-2-17-11(9(14)6-16-17)12(18)7-3-4-10(15)8(13)5-7/h3-6H,2H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone has a molecular weight of 392.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 114642070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).