5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde

C14H15FN2O2 — CID 170253834

IUPAC5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCc1cc(Oc2c(C=O)c(C)nn2C)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-4-10-7-11(5-6-13(10)15)19-14-12(8-18)9(2)16-17(14)3/h5-8H,4H2,1-3H3
InChIKeyHEXOWUTUZZJHME-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.03
Rot. Bonds4

About 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde

5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 170253834) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID170253834
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCc1cc(Oc2c(C=O)c(C)nn2C)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-4-10-7-11(5-6-13(10)15)19-14-12(8-18)9(2)16-17(14)3/h5-8H,4H2,1-3H3
InChIKeyHEXOWUTUZZJHME-UHFFFAOYSA-N
XLogP3.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde
CID 7062179
Fenpyroximate M-8
CID 10876220
5-(3-chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 2766865
{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate
CID 1478798
{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl propionate
CID 1478799
5-(4-chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 2766854
1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carbaldehyde
CID 2782966
1,3-Dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid
CID 2774290
1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 43647221
5-(4-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 2396316
3-Methyl-5-(4-methylphenoxy)-1-phenyl-1h-pyrazole-4-carbaldehyde
CID 20110145
3-Methyl-5-(3-methylphenoxy)-1-phenylpyrazole-4-carbaldehyde
CID 20110146

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde (CID 170253834) is 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde is CCc1cc(Oc2c(C=O)c(C)nn2C)ccc1F.
What is the InChIKey of 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is HEXOWUTUZZJHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-4-10-7-11(5-6-13(10)15)19-14-12(8-18)9(2)16-17(14)3/h5-8H,4H2,1-3H3.
What are the key properties of 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 262.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 170253834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).