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

C7H6F2N2O — CID 105435030

IUPAC4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESO=Cc1n[nH]c2c1C(F)(F)CC2
InChIInChI=1S/C7H6F2N2O/c8-7(9)2-1-4-6(7)5(3-12)11-10-4/h3H,1-2H2,(H,10,11)
InChIKeyFNLGLRVAWIVKAP-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.26
Rot. Bonds1

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

4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde (PubChem CID 105435030) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde
PubChem CID105435030
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESO=Cc1n[nH]c2c1C(F)(F)CC2
InChIInChI=1S/C7H6F2N2O/c8-7(9)2-1-4-6(7)5(3-12)11-10-4/h3H,1-2H2,(H,10,11)
InChIKeyFNLGLRVAWIVKAP-UHFFFAOYSA-N
XLogP1.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde?
The IUPAC name of 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde (CID 105435030) is 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde?
The canonical SMILES for 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde is O=Cc1n[nH]c2c1C(F)(F)CC2.
What is the InChIKey of 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde?
The InChIKey is FNLGLRVAWIVKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-7(9)2-1-4-6(7)5(3-12)11-10-4/h3H,1-2H2,(H,10,11).
What are the key properties of 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde?
4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde has a molecular weight of 172.13 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105435030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).