2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde

C10H13FN2O — CID 84733381

IUPAC2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1C1CCCC(F)C1
InChIInChI=1S/C10H13FN2O/c11-8-2-1-3-9(6-8)13-10(7-14)4-5-12-13/h4-5,7-9H,1-3,6H2
InChIKeyXGYFYDHRSANVOW-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.15
Rot. Bonds2

About 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde

2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde (PubChem CID 84733381) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde
PubChem CID84733381
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1C1CCCC(F)C1
InChIInChI=1S/C10H13FN2O/c11-8-2-1-3-9(6-8)13-10(7-14)4-5-12-13/h4-5,7-9H,1-3,6H2
InChIKeyXGYFYDHRSANVOW-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.15
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 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde?
The IUPAC name of 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde (CID 84733381) is 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde is O=Cc1ccnn1C1CCCC(F)C1.
What is the InChIKey of 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde?
The InChIKey is XGYFYDHRSANVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-8-2-1-3-9(6-8)13-10(7-14)4-5-12-13/h4-5,7-9H,1-3,6H2.
What are the key properties of 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde?
2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde has a molecular weight of 196.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 84733381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).