(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone

C12H9Br2ClN2O — CID 114019163

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br2ClN2O/c1-2-17-11(10(15)6-16-17)12(18)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
InChIKeyKWLJNAVPAYOOLX-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.31
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone (PubChem CID 114019163) has the molecular formula C12H9Br2ClN2O and a molecular weight of 392.48 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
PubChem CID114019163
Molecular FormulaC12H9Br2ClN2O
Molecular Weight392.48 g/mol
Exact Mass389.88
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br2ClN2O/c1-2-17-11(10(15)6-16-17)12(18)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
InChIKeyKWLJNAVPAYOOLX-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

(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 105130349
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone (CID 114019163) is (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone is CCn1ncc(Cl)c1C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone?
The InChIKey is KWLJNAVPAYOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O/c1-2-17-11(10(15)6-16-17)12(18)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)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 (4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 114019163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).