1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde

C16H17FN2O — CID 63864957

IUPAC1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1cc(F)ccc1-c1nn(C2CCCC2)cc1C=O
InChIInChI=1S/C16H17FN2O/c1-11-8-13(17)6-7-15(11)16-12(10-20)9-19(18-16)14-4-2-3-5-14/h6-10,14H,2-5H2,1H3
InChIKeyYUKVVYDFSVEYIF-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.93
Rot. Bonds3

About 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde

1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde (PubChem CID 63864957) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde
PubChem CID63864957
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1cc(F)ccc1-c1nn(C2CCCC2)cc1C=O
InChIInChI=1S/C16H17FN2O/c1-11-8-13(17)6-7-15(11)16-12(10-20)9-19(18-16)14-4-2-3-5-14/h6-10,14H,2-5H2,1H3
InChIKeyYUKVVYDFSVEYIF-UHFFFAOYSA-N
XLogP3.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.93
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

1-cycloheptyl-3-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 61270878
1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 61267084
3-cyclohexyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde
CID 63859264
1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 61270868
1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 63566798
1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758457
1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
CID 146680336
1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61271244
3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine
CID 114069334
1-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2-pyridinyl)pyrazole-4-carbaldehyde
CID 83110901
4-fluoro-2-methylbenzaldehyde
CID 2783217
3-(2-bromo-4-fluorophenyl)-1-(2-methylsulfonylethyl)pyrazole-4-carbaldehyde
CID 81042964

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde (CID 63864957) is 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde is Cc1cc(F)ccc1-c1nn(C2CCCC2)cc1C=O.
What is the InChIKey of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is YUKVVYDFSVEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-8-13(17)6-7-15(11)16-12(10-20)9-19(18-16)14-4-2-3-5-14/h6-10,14H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde?
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 272.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 63864957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).