1-(3-fluorophenyl)pyrazole-3-carbaldehyde

C10H7FN2O — CID 115017997

IUPAC1-(3-fluorophenyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C10H7FN2O/c11-8-2-1-3-10(6-8)13-5-4-9(7-14)12-13/h1-7H
InChIKeyFPFMUGUDZLRSAX-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.82
Rot. Bonds2

About 1-(3-fluorophenyl)pyrazole-3-carbaldehyde

1-(3-fluorophenyl)pyrazole-3-carbaldehyde (PubChem CID 115017997) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 1-(3-fluorophenyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluorophenyl)pyrazole-3-carbaldehyde
PubChem CID115017997
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name1-(3-fluorophenyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C10H7FN2O/c11-8-2-1-3-10(6-8)13-5-4-9(7-14)12-13/h1-7H
InChIKeyFPFMUGUDZLRSAX-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
The IUPAC name of 1-(3-fluorophenyl)pyrazole-3-carbaldehyde (CID 115017997) is 1-(3-fluorophenyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(3-fluorophenyl)pyrazole-3-carbaldehyde is O=Cc1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
The InChIKey is FPFMUGUDZLRSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-2-1-3-10(6-8)13-5-4-9(7-14)12-13/h1-7H.
What are the key properties of 1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
1-(3-fluorophenyl)pyrazole-3-carbaldehyde has a molecular weight of 190.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 115017997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).