1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde

C15H11FN2O2S — CID 114798221

IUPAC1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCOc1ccsc1-c1nn(-c2cccc(F)c2)cc1C=O
InChIInChI=1S/C15H11FN2O2S/c1-20-13-5-6-21-15(13)14-10(9-19)8-18(17-14)12-4-2-3-11(16)7-12/h2-9H,1H3
InChIKeyYWAUHBHSKCNUJJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.56
Rot. Bonds4

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

1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde (PubChem CID 114798221) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
PubChem CID114798221
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCOc1ccsc1-c1nn(-c2cccc(F)c2)cc1C=O
InChIInChI=1S/C15H11FN2O2S/c1-20-13-5-6-21-15(13)14-10(9-19)8-18(17-14)12-4-2-3-11(16)7-12/h2-9H,1H3
InChIKeyYWAUHBHSKCNUJJ-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxythiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 114798080
3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 106758479
1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798185
1-benzyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798133
1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679187
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
CID 38997103
3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde
CID 79204445
3-(3-methylthiophen-2-yl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 63991039
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
1-(4-bromo-2-methylphenyl)-3-(3-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 104508755

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde (CID 114798221) is 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde is COc1ccsc1-c1nn(-c2cccc(F)c2)cc1C=O.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is YWAUHBHSKCNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-20-13-5-6-21-15(13)14-10(9-19)8-18(17-14)12-4-2-3-11(16)7-12/h2-9H,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 302.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 114798221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).