5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde

C12H11FN2O — CID 87734412

IUPAC5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C12H11FN2O/c1-8-11(7-16)12(15(2)14-8)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyBCYUMMGZAZACSE-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.35
Rot. Bonds2

About 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 87734412) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID87734412
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C12H11FN2O/c1-8-11(7-16)12(15(2)14-8)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyBCYUMMGZAZACSE-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 69205590
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 146448044
2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 105492843
5-(4-chlorophenyl)-3-(2,4-difluoro-3-methylphenyl)-1-methylpyrazole-4-carbaldehyde
CID 143740692
1-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]ethanone
CID 105472133
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010
5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86721229
1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
CID 72545568
3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 135370970
2-(4-fluorophenyl)-7-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbaldehyde
CID 88510440
5-(4-fluorophenyl)-1-methylpyrazol-4-amine
CID 28803587
ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
CID 68709761

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 87734412) is 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is BCYUMMGZAZACSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-11(7-16)12(15(2)14-8)9-3-5-10(13)6-4-9/h3-7H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 218.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 87734412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).