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

C12H10Br2N2O — CID 114639062

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H10Br2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKeyYOSBVUGVRUIFSF-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.66
Rot. Bonds3

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

(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone (PubChem CID 114639062) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
PubChem CID114639062
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H10Br2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKeyYOSBVUGVRUIFSF-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 114638877
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
(4-bromo-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114671096
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethoxyphenyl)methanone
CID 114638798
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone
CID 105130247

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone (CID 114639062) is (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone is CCn1ncc(Br)c1C(=O)c1cccc(Br)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone?
The InChIKey is YOSBVUGVRUIFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone has a molecular weight of 358.03 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone is sourced from PubChem (CID 114639062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).