3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole

C10H7Br3N2 — CID 114692670

IUPAC3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
SMILESBrc1cc(Br)n(Cc2ccccc2Br)n1
InChIInChI=1S/C10H7Br3N2/c11-8-4-2-1-3-7(8)6-15-10(13)5-9(12)14-15/h1-5H,6H2
InChIKeyXNTDEZHJMNFMOC-UHFFFAOYSA-N
MW394.89 g/mol
LogP4.22
Rot. Bonds2

About 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole

3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole (PubChem CID 114692670) has the molecular formula C10H7Br3N2 and a molecular weight of 394.89 g/mol. Its IUPAC name is 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
PubChem CID114692670
Molecular FormulaC10H7Br3N2
Molecular Weight394.89 g/mol
Exact Mass391.82
IUPAC Name3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
SMILESBrc1cc(Br)n(Cc2ccccc2Br)n1
InChIInChI=1S/C10H7Br3N2/c11-8-4-2-1-3-7(8)6-15-10(13)5-9(12)14-15/h1-5H,6H2
InChIKeyXNTDEZHJMNFMOC-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66015311
3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole
CID 114692696
2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 65353288
1-[(2-bromophenyl)methyl]-3-tert-butylpyrazol-5-amine
CID 63276489
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
CID 114692400
1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine
CID 63276403
1-[(2-bromophenyl)methyl]-5-phenyltriazole
CID 14612090
1-[(2-bromophenyl)methyl]pyrazol-3-amine
CID 60783201
1-[(2-bromophenyl)methyl]-5-chloro-3-methyl-4-propan-2-ylpyrazole
CID 66015913
1-[(2-bromophenyl)methyl]benzimidazol-5-amine
CID 62508387
1-[(2-bromophenyl)methyl]-5-chloro-3-methylpyrazole-4-carbaldehyde
CID 63276706

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole?
The IUPAC name of 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole (CID 114692670) is 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole?
The canonical SMILES for 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole is Brc1cc(Br)n(Cc2ccccc2Br)n1.
What is the InChIKey of 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole?
The InChIKey is XNTDEZHJMNFMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br3N2/c11-8-4-2-1-3-7(8)6-15-10(13)5-9(12)14-15/h1-5H,6H2.
What are the key properties of 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole?
3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole has a molecular weight of 394.89 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole is sourced from PubChem (CID 114692670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).