3,5-bis(3-bromophenyl)-1H-pyrazole

C15H10Br2N2 — CID 19587667

IUPAC3,5-bis(3-bromophenyl)-1H-pyrazole
SMILESBrc1cccc(-c2cc(-c3cccc(Br)c3)[nH]n2)c1
InChIInChI=1S/C15H10Br2N2/c16-12-5-1-3-10(7-12)14-9-15(19-18-14)11-4-2-6-13(17)8-11/h1-9H,(H,18,19)
InChIKeyBWBSZXZJCUXJHR-UHFFFAOYSA-N
MW378.07 g/mol
LogP5.27
Rot. Bonds2

About 3,5-bis(3-bromophenyl)-1H-pyrazole

3,5-bis(3-bromophenyl)-1H-pyrazole (PubChem CID 19587667) has the molecular formula C15H10Br2N2 and a molecular weight of 378.07 g/mol. Its IUPAC name is 3,5-bis(3-bromophenyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(3-bromophenyl)-1H-pyrazole
PubChem CID19587667
Molecular FormulaC15H10Br2N2
Molecular Weight378.07 g/mol
Exact Mass375.92
IUPAC Name3,5-bis(3-bromophenyl)-1H-pyrazole
SMILESBrc1cccc(-c2cc(-c3cccc(Br)c3)[nH]n2)c1
InChIInChI=1S/C15H10Br2N2/c16-12-5-1-3-10(7-12)14-9-15(19-18-14)11-4-2-6-13(17)8-11/h1-9H,(H,18,19)
InChIKeyBWBSZXZJCUXJHR-UHFFFAOYSA-N
XLogP5.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.07
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-Amino-3-(4-bromophenyl)-1H-pyrazole
CID 780878
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 727195
3-(4-bromophenyl)-1H-pyrazole
CID 2735614

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-bromophenyl)-1H-pyrazole?
The IUPAC name of 3,5-bis(3-bromophenyl)-1H-pyrazole (CID 19587667) is 3,5-bis(3-bromophenyl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(3-bromophenyl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(3-bromophenyl)-1H-pyrazole is Brc1cccc(-c2cc(-c3cccc(Br)c3)[nH]n2)c1.
What is the InChIKey of 3,5-bis(3-bromophenyl)-1H-pyrazole?
The InChIKey is BWBSZXZJCUXJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2/c16-12-5-1-3-10(7-12)14-9-15(19-18-14)11-4-2-6-13(17)8-11/h1-9H,(H,18,19).
What are the key properties of 3,5-bis(3-bromophenyl)-1H-pyrazole?
3,5-bis(3-bromophenyl)-1H-pyrazole has a molecular weight of 378.07 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-bromophenyl)-1H-pyrazole is sourced from PubChem (CID 19587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).