1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde

C10H9FN2O — CID 118281683

IUPAC1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2=CC=CC[C@H]2F)c1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-2-4-10(9)13-6-8(7-14)5-12-13/h1-2,4-7,9H,3H2/t9-/m1/s1
InChIKeyNRWYIJADGQOEEK-SECBINFHSA-N
MW192.19 g/mol
LogP1.83
Rot. Bonds2

About 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde

1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde (PubChem CID 118281683) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde
PubChem CID118281683
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2=CC=CC[C@H]2F)c1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-2-4-10(9)13-6-8(7-14)5-12-13/h1-2,4-7,9H,3H2/t9-/m1/s1
InChIKeyNRWYIJADGQOEEK-SECBINFHSA-N
XLogP1.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.83
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-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde (CID 118281683) is 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde is O=Cc1cnn(C2=CC=CC[C@H]2F)c1.
What is the InChIKey of 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde?
The InChIKey is NRWYIJADGQOEEK-SECBINFHSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-3-1-2-4-10(9)13-6-8(7-14)5-12-13/h1-2,4-7,9H,3H2/t9-/m1/s1.
What are the key properties of 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde?
1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde has a molecular weight of 192.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-fluorocyclohexa-1,3-dien-1-yl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 118281683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).