1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole

C51H74Br2N10O2S2 — CID 157078803

IUPAC1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole
SMILESCc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn(Br)nc1C.Cc1cn(C)nc1C.Cc1cn[nH]c1C.Cc1cnn(Br)c1C.Cc1cnn(C)c1C
InChIInChI=1S/2C6H10N2.2C6H8O.2C6H8S.2C5H7BrN2.C5H8N2/c1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;4*1-5-3-4-7-6(5)2;1-4-3-8(6)7-5(4)2;1-4-3-7-8(6)5(4)2;1-4-3-6-7-5(4)2/h2*4H,1-3H3;4*3-4H,1-2H3;2*3H,1-2H3;3H,1-2H3,(H,6,7)
InChIKeyADHCGYPBVSHINY-UHFFFAOYSA-N
MW1083.16 g/mol
LogP14.94
Rot. Bonds

About 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole

1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole (PubChem CID 157078803) has the molecular formula C51H74Br2N10O2S2 and a molecular weight of 1083.16 g/mol. Its IUPAC name is 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole
PubChem CID157078803
Molecular FormulaC51H74Br2N10O2S2
Molecular Weight1083.16 g/mol
Exact Mass1080.38
IUPAC Name1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole
SMILESCc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn(Br)nc1C.Cc1cn(C)nc1C.Cc1cn[nH]c1C.Cc1cnn(Br)c1C.Cc1cnn(C)c1C
InChIInChI=1S/2C6H10N2.2C6H8O.2C6H8S.2C5H7BrN2.C5H8N2/c1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;4*1-5-3-4-7-6(5)2;1-4-3-8(6)7-5(4)2;1-4-3-7-8(6)5(4)2;1-4-3-6-7-5(4)2/h2*4H,1-3H3;4*3-4H,1-2H3;2*3H,1-2H3;3H,1-2H3,(H,6,7)
InChIKeyADHCGYPBVSHINY-UHFFFAOYSA-N
XLogP14.94
TPSA126.24 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.16
LogP ≤ 514.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole with MolForge

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Related Compounds

1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran
CID 157267147
Ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 157881955
1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158152705
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 158656857
2,3-Dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 159387911
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 159703128
2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 159979213
bis(2,4-dimethylfuran);2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;bis(1,3-dimethylpyrrole);bis(2,4-dimethyl-1H-pyrrole);2,5-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;ethane
CID 160191892
5-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-1H-pyrazole;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
CID 160240674
1,3-Dimethylpyrazole;1,4-dimethylpyrazole;ethane;3-methylfuran;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 160397804
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 161097033

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole?
The IUPAC name of 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole (CID 157078803) is 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole.
What is the SMILES notation for 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole?
The canonical SMILES for 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole is Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn(Br)nc1C.Cc1cn(C)nc1C.Cc1cn[nH]c1C.Cc1cnn(Br)c1C.Cc1cnn(C)c1C.
What is the InChIKey of 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole?
The InChIKey is ADHCGYPBVSHINY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.2C6H8O.2C6H8S.2C5H7BrN2.C5H8N2/c1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;4*1-5-3-4-7-6(5)2;1-4-3-8(6)7-5(4)2;1-4-3-7-8(6)5(4)2;1-4-3-6-7-5(4)2/h2*4H,1-3H3;4*3-4H,1-2H3;2*3H,1-2H3;3H,1-2H3,(H,6,7).
What are the key properties of 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole?
1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole has a molecular weight of 1083.16 g/mol, XLogP of 14.94, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole is sourced from PubChem (CID 157078803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).