3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde

C10H7FN2O — CID 144604013

IUPAC3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
SMILESO=Cc1cccc(F)c1-c1ccn[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-2-7(6-14)10(8)9-4-5-12-13-9/h1-6H,(H,12,13)
InChIKeyAGFPGULYIMKQGT-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.03
Rot. Bonds2

About 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde

3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde (PubChem CID 144604013) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
PubChem CID144604013
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
SMILESO=Cc1cccc(F)c1-c1ccn[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-2-7(6-14)10(8)9-4-5-12-13-9/h1-6H,(H,12,13)
InChIKeyAGFPGULYIMKQGT-UHFFFAOYSA-N
XLogP2.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde?
The IUPAC name of 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde (CID 144604013) is 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde is O=Cc1cccc(F)c1-c1ccn[nH]1.
What is the InChIKey of 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde?
The InChIKey is AGFPGULYIMKQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-3-1-2-7(6-14)10(8)9-4-5-12-13-9/h1-6H,(H,12,13).
What are the key properties of 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde?
3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde has a molecular weight of 190.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde is sourced from PubChem (CID 144604013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).