4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde

C11H8ClFN2O — CID 83912392

IUPAC4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde
SMILESCn1nc(-c2cccc(F)c2)c(Cl)c1C=O
InChIInChI=1S/C11H8ClFN2O/c1-15-9(6-16)10(12)11(14-15)7-3-2-4-8(13)5-7/h2-6H,1H3
InChIKeyHOOKOUOJWVLLFV-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde

4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde (PubChem CID 83912392) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde
PubChem CID83912392
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde
SMILESCn1nc(-c2cccc(F)c2)c(Cl)c1C=O
InChIInChI=1S/C11H8ClFN2O/c1-15-9(6-16)10(12)11(14-15)7-3-2-4-8(13)5-7/h2-6H,1H3
InChIKeyHOOKOUOJWVLLFV-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.69
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

4-chloro-2-methyl-5-(3-methylphenyl)pyrazole-3-carbaldehyde
CID 83911945
5-(3-fluorophenyl)-3-propan-2-yltriazole-4-carbaldehyde
CID 105492399
5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine
CID 59797172
5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 75359372
4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
CID 79072758
4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 87538868
2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
CID 131870663
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981
5-(3-fluorophenyl)-2H-triazole-4-carbaldehyde
CID 82377894
4-chloro-1,3-dimethylpyrazole-5-carbaldehyde
CID 50896588
1-cycloheptyl-3-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 61270878
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde?
The IUPAC name of 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde (CID 83912392) is 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde is Cn1nc(-c2cccc(F)c2)c(Cl)c1C=O.
What is the InChIKey of 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde?
The InChIKey is HOOKOUOJWVLLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-15-9(6-16)10(12)11(14-15)7-3-2-4-8(13)5-7/h2-6H,1H3.
What are the key properties of 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde?
4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde has a molecular weight of 238.65 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 83912392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).