1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde

C15H10BrN3O — CID 65347838

IUPAC1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Br)cn2)nc1-c1ccccc1
InChIInChI=1S/C15H10BrN3O/c16-13-6-7-14(17-8-13)19-9-12(10-20)15(18-19)11-4-2-1-3-5-11/h1-10H
InChIKeyJBOSGHOLIXEKEN-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.51
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde

1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde (PubChem CID 65347838) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
PubChem CID65347838
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Br)cn2)nc1-c1ccccc1
InChIInChI=1S/C15H10BrN3O/c16-13-6-7-14(17-8-13)19-9-12(10-20)15(18-19)11-4-2-1-3-5-11/h1-10H
InChIKeyJBOSGHOLIXEKEN-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazole-4-carbaldehyde
CID 65347690
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 65347544
1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine
CID 83222872
1-(5-bromo-2-pyridinyl)-3-(5-bromothiophen-2-yl)pyrazole-4-carbaldehyde
CID 65347640
1-(5-bromo-2-pyridinyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazole-4-carbaldehyde
CID 65347639
1-(5-bromo-2-pyridinyl)-5-phenylpyrazole-4-carbaldehyde
CID 65348167
3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 114798072
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carbaldehyde
CID 71732594
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
CID 114798117
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
3-(3,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63750754

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde (CID 65347838) is 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(Br)cn2)nc1-c1ccccc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde?
The InChIKey is JBOSGHOLIXEKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-13-6-7-14(17-8-13)19-9-12(10-20)15(18-19)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde?
1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde has a molecular weight of 328.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 65347838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).