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

C14H10BrClN2O2 — CID 105130349

IUPAC(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H10BrClN2O2/c1-2-18-12(10(16)7-17-18)13(19)11-6-8-4-3-5-9(15)14(8)20-11/h3-7H,2H2,1H3
InChIKeyZGTMMEARTRUIIX-UHFFFAOYSA-N
MW353.60 g/mol
LogP4.30
Rot. Bonds3

About (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone

(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (PubChem CID 105130349) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
PubChem CID105130349
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H10BrClN2O2/c1-2-18-12(10(16)7-17-18)13(19)11-6-8-4-3-5-9(15)14(8)20-11/h3-7H,2H2,1H3
InChIKeyZGTMMEARTRUIIX-UHFFFAOYSA-N
XLogP4.30
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130288
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803
(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone
CID 63547761
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 105132100
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 105130272
7-bromo-1-benzofuran-2-carboxamide
CID 47331810

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (CID 105130349) is (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Cl)c1C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The InChIKey is ZGTMMEARTRUIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c1-2-18-12(10(16)7-17-18)13(19)11-6-8-4-3-5-9(15)14(8)20-11/h3-7H,2H2,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone has a molecular weight of 353.60 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 105130349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).