1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde

C14H9BrN2O2 — CID 43542689

IUPAC1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Br)c2)nc1-c1ccco1
InChIInChI=1S/C14H9BrN2O2/c15-11-3-1-4-12(7-11)17-8-10(9-18)14(16-17)13-5-2-6-19-13/h1-9H
InChIKeyORDBUCJYTDEEIP-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde

1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 43542689) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
PubChem CID43542689
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Br)c2)nc1-c1ccco1
InChIInChI=1S/C14H9BrN2O2/c15-11-3-1-4-12(7-11)17-8-10(9-18)14(16-17)13-5-2-6-19-13/h1-9H
InChIKeyORDBUCJYTDEEIP-UHFFFAOYSA-N
XLogP3.71
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.71
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

1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 65347544
1-(3-bromophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde
CID 43542683
1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 43324338
3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 63275337
1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61272441
1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61271244
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9023528
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61270554
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde (CID 43542689) is 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2cccc(Br)c2)nc1-c1ccco1.
What is the InChIKey of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is ORDBUCJYTDEEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-3-1-4-12(7-11)17-8-10(9-18)14(16-17)13-5-2-6-19-13/h1-9H.
What are the key properties of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 317.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43542689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).