(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone

C11H9BrClN3O — CID 114641629

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H9BrClN3O/c1-2-16-10(8(12)6-15-16)11(17)9-4-3-7(13)5-14-9/h3-6H,2H2,1H3
InChIKeyJJCBEQMXQSFGQY-UHFFFAOYSA-N
MW314.57 g/mol
LogP2.94
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone (PubChem CID 114641629) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
PubChem CID114641629
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H9BrClN3O/c1-2-16-10(8(12)6-15-16)11(17)9-4-3-7(13)5-14-9/h3-6H,2H2,1H3
InChIKeyJJCBEQMXQSFGQY-UHFFFAOYSA-N
XLogP2.94
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-2-pyridinyl)methanone
CID 114641638
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(4-chlorophenoxy)ethanone
CID 105130160
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
CID 103373313
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105130217
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950211
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone (CID 114641629) is (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone is CCn1ncc(Br)c1C(=O)c1ccc(Cl)cn1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone?
The InChIKey is JJCBEQMXQSFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-2-16-10(8(12)6-15-16)11(17)9-4-3-7(13)5-14-9/h3-6H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone has a molecular weight of 314.57 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 114641629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).