(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole

C20H24Br2N6O3 — CID 165088259

IUPAC(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(C(O)c2cn(C)nc2Br)on1.CCc1cc(Cc2cn(C)nc2Br)on1
InChIInChI=1S/C10H12BrN3O2.C10H12BrN3O/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11;1-3-8-5-9(15-13-8)4-7-6-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyWGKWFXIMWKRLFN-UHFFFAOYSA-N
MW556.26 g/mol
LogP4.14
Rot. Bonds6

About (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole

(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole (PubChem CID 165088259) has the molecular formula C20H24Br2N6O3 and a molecular weight of 556.26 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole
PubChem CID165088259
Molecular FormulaC20H24Br2N6O3
Molecular Weight556.26 g/mol
Exact Mass554.03
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(C(O)c2cn(C)nc2Br)on1.CCc1cc(Cc2cn(C)nc2Br)on1
InChIInChI=1S/C10H12BrN3O2.C10H12BrN3O/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11;1-3-8-5-9(15-13-8)4-7-6-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyWGKWFXIMWKRLFN-UHFFFAOYSA-N
XLogP4.14
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole with MolForge

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Related Compounds

(3-Bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol
CID 164719257
(3-Bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanol
CID 164718616
5-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole
CID 164718672
(3-Bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
CID 164719599
(3-Bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole
CID 164963766
3-bromo-4-iodo-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone;5-ethyl-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide
CID 164968095
5-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole;3-ethyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
CID 164971094
3-Bromo-4-iodo-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;3-ethyl-1,2-oxazole-5-carbaldehyde
CID 164972563
5-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carbonitrile;iodocopper;5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carbonitrile
CID 165003140
(3-Bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanol;(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 165018682
5-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
CID 165018765
5-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
CID 165025312

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole (CID 165088259) is (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole is CCc1cc(C(O)c2cn(C)nc2Br)on1.CCc1cc(Cc2cn(C)nc2Br)on1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
The InChIKey is WGKWFXIMWKRLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2.C10H12BrN3O/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11;1-3-8-5-9(15-13-8)4-7-6-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole has a molecular weight of 556.26 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole is sourced from PubChem (CID 165088259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).