(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

C20H22Br2N6O4 — CID 165018682

IUPAC(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
SMILESCCc1cc(C(=O)c2cn(C)nc2Br)no1.CCc1cc(C(O)c2cn(C)nc2Br)no1
InChIInChI=1S/C10H12BrN3O2.C10H10BrN3O2/c2*1-3-6-4-8(13-16-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyKVAAIFITRDIOPT-UHFFFAOYSA-N
MW570.24 g/mol
LogP3.78
Rot. Bonds6

About (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

(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 (PubChem CID 165018682) has the molecular formula C20H22Br2N6O4 and a molecular weight of 570.24 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165018682
Molecular FormulaC20H22Br2N6O4
Molecular Weight570.24 g/mol
Exact Mass568.01
IUPAC Name(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
SMILESCCc1cc(C(=O)c2cn(C)nc2Br)no1.CCc1cc(C(O)c2cn(C)nc2Br)no1
InChIInChI=1S/C10H12BrN3O2.C10H10BrN3O2/c2*1-3-6-4-8(13-16-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyKVAAIFITRDIOPT-UHFFFAOYSA-N
XLogP3.78
TPSA125.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

(3-Bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanol
CID 164718616
(3-Bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 164719474
(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;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 165028318
(3-Bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanol;3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole
CID 165034323
3-Bromo-4-iodo-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol;3-(2,2-difluoroethyl)-1,2-oxazole-5-carbaldehyde
CID 165085935
(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
3-Bromo-4-iodo-1-methylpyrazole;ethyl 5-[(3-bromo-1-methylpyrazol-4-yl)-hydroxymethyl]-1,2-oxazole-3-carboxylate;ethyl 5-formyl-1,2-oxazole-3-carboxylate
CID 165098969
Azane;5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide;ethyl 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylate
CID 165106691

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1cc(C(=O)c2cn(C)nc2Br)no1.CCc1cc(C(O)c2cn(C)nc2Br)no1.
What is the InChIKey of (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?
The InChIKey is KVAAIFITRDIOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2.C10H10BrN3O2/c2*1-3-6-4-8(13-16-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 570.24 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165018682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).