1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde

C10H13FN2O — CID 105449891

IUPAC1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde
SMILESCCn1nc(C=O)c2c1CCC2(C)F
InChIInChI=1S/C10H13FN2O/c1-3-13-8-4-5-10(2,11)9(8)7(6-14)12-13/h6H,3-5H2,1-2H3
InChIKeyRZIWDHDZFZHLQY-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.85
Rot. Bonds2

About 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde

1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde (PubChem CID 105449891) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde
PubChem CID105449891
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde
SMILESCCn1nc(C=O)c2c1CCC2(C)F
InChIInChI=1S/C10H13FN2O/c1-3-13-8-4-5-10(2,11)9(8)7(6-14)12-13/h6H,3-5H2,1-2H3
InChIKeyRZIWDHDZFZHLQY-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
The IUPAC name of 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde (CID 105449891) is 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde is CCn1nc(C=O)c2c1CCC2(C)F.
What is the InChIKey of 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
The InChIKey is RZIWDHDZFZHLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-3-13-8-4-5-10(2,11)9(8)7(6-14)12-13/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde has a molecular weight of 196.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105449891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).