1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde

C10H7F2N3O2 — CID 137351142

IUPAC1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2ccn(C(F)F)c(=O)c2)c1
InChIInChI=1S/C10H7F2N3O2/c11-10(12)14-2-1-8(3-9(14)17)15-5-7(6-16)4-13-15/h1-6,10H
InChIKeyUVGVAMNKJBRBJX-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.24
Rot. Bonds3

About 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde

1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde (PubChem CID 137351142) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde
PubChem CID137351142
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2ccn(C(F)F)c(=O)c2)c1
InChIInChI=1S/C10H7F2N3O2/c11-10(12)14-2-1-8(3-9(14)17)15-5-7(6-16)4-13-15/h1-6,10H
InChIKeyUVGVAMNKJBRBJX-UHFFFAOYSA-N
XLogP1.24
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde (CID 137351142) is 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde is O=Cc1cnn(-c2ccn(C(F)F)c(=O)c2)c1.
What is the InChIKey of 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde?
The InChIKey is UVGVAMNKJBRBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-10(12)14-2-1-8(3-9(14)17)15-5-7(6-16)4-13-15/h1-6,10H.
What are the key properties of 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde?
1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde has a molecular weight of 239.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-2-oxo-4-pyridinyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 137351142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).