3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde

C15H13FN4O — CID 19614633

IUPAC3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
SMILESCc1nn(C)cc1-c1nn(-c2ccccc2F)cc1C=O
InChIInChI=1S/C15H13FN4O/c1-10-12(8-19(2)17-10)15-11(9-21)7-20(18-15)14-6-4-3-5-13(14)16/h3-9H,1-2H3
InChIKeyRLYBTNWDOKNVAT-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.53
Rot. Bonds3

About 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde

3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 19614633) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
PubChem CID19614633
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
SMILESCc1nn(C)cc1-c1nn(-c2ccccc2F)cc1C=O
InChIInChI=1S/C15H13FN4O/c1-10-12(8-19(2)17-10)15-11(9-21)7-20(18-15)14-6-4-3-5-13(14)16/h3-9H,1-2H3
InChIKeyRLYBTNWDOKNVAT-UHFFFAOYSA-N
XLogP2.53
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.53
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 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde (CID 19614633) is 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde is Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1C=O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is RLYBTNWDOKNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-10-12(8-19(2)17-10)15-11(9-21)7-20(18-15)14-6-4-3-5-13(14)16/h3-9H,1-2H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 284.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 19614633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).