(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C10H10BrN3OS — CID 105130217

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1csc(C)n1
InChIInChI=1S/C10H10BrN3OS/c1-3-14-9(7(11)4-12-14)10(15)8-5-16-6(2)13-8/h4-5H,3H2,1-2H3
InChIKeyVSUMUAWTQQHKNW-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.66
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 105130217) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID105130217
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1csc(C)n1
InChIInChI=1S/C10H10BrN3OS/c1-3-14-9(7(11)4-12-14)10(15)8-5-16-6(2)13-8/h4-5H,3H2,1-2H3
InChIKeyVSUMUAWTQQHKNW-UHFFFAOYSA-N
XLogP2.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
CID 103373313
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669734
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950211
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114639889

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 105130217) is (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is CCn1ncc(Br)c1C(=O)c1csc(C)n1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is VSUMUAWTQQHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-3-14-9(7(11)4-12-14)10(15)8-5-16-6(2)13-8/h4-5H,3H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 300.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 105130217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).