(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone

C10H7Br2ClN2OS — CID 107967803

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H7Br2ClN2OS/c1-2-15-8(6(13)4-14-15)9(16)5-3-7(11)17-10(5)12/h3-4H,2H2,1H3
InChIKeyGZGKRKAFVLJQRH-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.37
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 107967803) has the molecular formula C10H7Br2ClN2OS and a molecular weight of 398.51 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID107967803
Molecular FormulaC10H7Br2ClN2OS
Molecular Weight398.51 g/mol
Exact Mass395.83
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H7Br2ClN2OS/c1-2-15-8(6(13)4-14-15)9(16)5-3-7(11)17-10(5)12/h3-4H,2H2,1H3
InChIKeyGZGKRKAFVLJQRH-UHFFFAOYSA-N
XLogP4.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
[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
(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 105130349
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
CID 114642059

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone (CID 107967803) is (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone is CCn1ncc(Cl)c1C(=O)c1cc(Br)sc1Br.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is GZGKRKAFVLJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2ClN2OS/c1-2-15-8(6(13)4-14-15)9(16)5-3-7(11)17-10(5)12/h3-4H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 107967803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).