5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride

C64H83Br3ClN13O18 — CID 162097170

IUPAC5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride
SMILESCC(=O)C1CC1.CCOC(=O)C(=O)CC(=O)C1CC1.CCOC(=O)C(=O)OCC.CCOC(=O)C(CC(=O)C1CC1)=NOC.CCOC(=O)c1cc(C2CC2)nn1-c1ccc(Br)cn1.CON.Cl.Cn1nc(-c2cc(C3CC3)nn2-c2ccc(Br)cn2)oc1=O.NNc1ccc(Br)cn1
InChIInChI=1S/C14H12BrN5O2.C14H14BrN3O2.C10H15NO4.C9H12O4.C6H10O4.C5H6BrN3.C5H8O.CH5NO.ClH/c1-19-14(21)22-13(18-19)11-6-10(8-2-3-8)17-20(11)12-5-4-9(15)7-16-12;1-2-20-14(19)12-7-11(9-3-4-9)17-18(12)13-6-5-10(15)8-16-13;1-3-15-10(13)8(11-14-2)6-9(12)7-4-5-7;1-2-13-9(12)8(11)5-7(10)6-3-4-6;1-3-9-5(7)6(8)10-4-2;6-4-1-2-5(9-7)8-3-4;1-4(6)5-2-3-5;1-3-2;/h4-8H,2-3H2,1H3;5-9H,2-4H2,1H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3;1-3H,7H2,(H,8,9);5H,2-3H2,1H3;2H2,1H3;1H
InChIKeyWKCJUYZNCACDFJ-UHFFFAOYSA-N
MW1597.61 g/mol
LogP8.91
Rot. Bonds22

About 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride

5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride (PubChem CID 162097170) has the molecular formula C64H83Br3ClN13O18 and a molecular weight of 1597.61 g/mol. Its IUPAC name is 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride.

Molecular Properties

Compound Name5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride
PubChem CID162097170
Molecular FormulaC64H83Br3ClN13O18
Molecular Weight1597.61 g/mol
Exact Mass1593.32
IUPAC Name5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride
SMILESCC(=O)C1CC1.CCOC(=O)C(=O)CC(=O)C1CC1.CCOC(=O)C(=O)OCC.CCOC(=O)C(CC(=O)C1CC1)=NOC.CCOC(=O)c1cc(C2CC2)nn1-c1ccc(Br)cn1.CON.Cl.Cn1nc(-c2cc(C3CC3)nn2-c2ccc(Br)cn2)oc1=O.NNc1ccc(Br)cn1
InChIInChI=1S/C14H12BrN5O2.C14H14BrN3O2.C10H15NO4.C9H12O4.C6H10O4.C5H6BrN3.C5H8O.CH5NO.ClH/c1-19-14(21)22-13(18-19)11-6-10(8-2-3-8)17-20(11)12-5-4-9(15)7-16-12;1-2-20-14(19)12-7-11(9-3-4-9)17-18(12)13-6-5-10(15)8-16-13;1-3-15-10(13)8(11-14-2)6-9(12)7-4-5-7;1-2-13-9(12)8(11)5-7(10)6-3-4-6;1-3-9-5(7)6(8)10-4-2;6-4-1-2-5(9-7)8-3-4;1-4(6)5-2-3-5;1-3-2;/h4-8H,2-3H2,1H3;5-9H,2-4H2,1H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3;1-3H,7H2,(H,8,9);5H,2-3H2,1H3;2H2,1H3;1H
InChIKeyWKCJUYZNCACDFJ-UHFFFAOYSA-N
XLogP8.91
TPSA417.01 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.61
LogP ≤ 58.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride with MolForge

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Related Compounds

(5-Bromo-2-pyridinyl)hydrazine;5-[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;ethyl 1-(5-bromo-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2,4-dioxopentanoate
CID 158986018
5-[1-(5-Bromo-2-pyridinyl)-5-cyclopropylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;ethyl 1-(5-bromo-2-pyridinyl)-5-cyclopropylpyrazole-3-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate
CID 161968484

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride?
The IUPAC name of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride (CID 162097170) is 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride.
What is the SMILES notation for 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride?
The canonical SMILES for 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride is CC(=O)C1CC1.CCOC(=O)C(=O)CC(=O)C1CC1.CCOC(=O)C(=O)OCC.CCOC(=O)C(CC(=O)C1CC1)=NOC.CCOC(=O)c1cc(C2CC2)nn1-c1ccc(Br)cn1.CON.Cl.Cn1nc(-c2cc(C3CC3)nn2-c2ccc(Br)cn2)oc1=O.NNc1ccc(Br)cn1.
What is the InChIKey of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride?
The InChIKey is WKCJUYZNCACDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2.C14H14BrN3O2.C10H15NO4.C9H12O4.C6H10O4.C5H6BrN3.C5H8O.CH5NO.ClH/c1-19-14(21)22-13(18-19)11-6-10(8-2-3-8)17-20(11)12-5-4-9(15)7-16-12;1-2-20-14(19)12-7-11(9-3-4-9)17-18(12)13-6-5-10(15)8-16-13;1-3-15-10(13)8(11-14-2)6-9(12)7-4-5-7;1-2-13-9(12)8(11)5-7(10)6-3-4-6;1-3-9-5(7)6(8)10-4-2;6-4-1-2-5(9-7)8-3-4;1-4(6)5-2-3-5;1-3-2;/h4-8H,2-3H2,1H3;5-9H,2-4H2,1H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3;1-3H,7H2,(H,8,9);5H,2-3H2,1H3;2H2,1H3;1H.
What are the key properties of 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride?
5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride has a molecular weight of 1597.61 g/mol, XLogP of 8.91, 22 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazol-5-yl]-3-methyl-1,3,4-oxadiazol-2-one;(5-bromo-2-pyridinyl)hydrazine;1-cyclopropylethanone;diethyl oxalate;ethyl 1-(5-bromo-2-pyridinyl)-3-cyclopropylpyrazole-5-carboxylate;ethyl 4-cyclopropyl-2,4-dioxobutanoate;ethyl 4-cyclopropyl-2-methoxyimino-4-oxobutanoate;O-methylhydroxylamine;hydrochloride is sourced from PubChem (CID 162097170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).