4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde

C10H13FN2O — CID 105449893

IUPAC4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c1CCC2F
InChIInChI=1S/C10H13FN2O/c1-6(2)13-9-4-3-7(11)10(9)8(5-14)12-13/h5-7H,3-4H2,1-2H3
InChIKeyRZMRWFDQEQVMBF-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.23
Rot. Bonds2

About 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde

4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (PubChem CID 105449893) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
PubChem CID105449893
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c1CCC2F
InChIInChI=1S/C10H13FN2O/c1-6(2)13-9-4-3-7(11)10(9)8(5-14)12-13/h5-7H,3-4H2,1-2H3
InChIKeyRZMRWFDQEQVMBF-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The IUPAC name of 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (CID 105449893) is 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is CC(C)n1nc(C=O)c2c1CCC2F.
What is the InChIKey of 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The InChIKey is RZMRWFDQEQVMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-6(2)13-9-4-3-7(11)10(9)8(5-14)12-13/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde has a molecular weight of 196.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105449893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).