4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde

C8H9FN2O — CID 105433700

IUPAC4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)c2c1CCC2F
InChIInChI=1S/C8H9FN2O/c1-11-7-3-2-5(9)8(7)6(4-12)10-11/h4-5H,2-3H2,1H3
InChIKeyNYLJVHWCQUKTMC-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.19
Rot. Bonds1

About 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde

4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (PubChem CID 105433700) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
PubChem CID105433700
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)c2c1CCC2F
InChIInChI=1S/C8H9FN2O/c1-11-7-3-2-5(9)8(7)6(4-12)10-11/h4-5H,2-3H2,1H3
InChIKeyNYLJVHWCQUKTMC-UHFFFAOYSA-N
XLogP1.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.19
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 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The IUPAC name of 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (CID 105433700) is 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is Cn1nc(C=O)c2c1CCC2F.
What is the InChIKey of 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The InChIKey is NYLJVHWCQUKTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-11-7-3-2-5(9)8(7)6(4-12)10-11/h4-5H,2-3H2,1H3.
What are the key properties of 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105433700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).