2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde

C16H17FN2O — CID 155110583

IUPAC2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1-c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C16H17FN2O/c17-13-8-4-7-12(10-20)16(13)15-9-14(18-19-15)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)
InChIKeyFZJMJWDSSUQOKS-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.08
Rot. Bonds3

About 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde

2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde (PubChem CID 155110583) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde
PubChem CID155110583
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1-c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C16H17FN2O/c17-13-8-4-7-12(10-20)16(13)15-9-14(18-19-15)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)
InChIKeyFZJMJWDSSUQOKS-UHFFFAOYSA-N
XLogP4.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-2-methylbenzaldehyde
CID 15107628
3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
CID 144604013
4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
CID 54853416
2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 87274435
(4-fluorophenyl)-[(3S)-3-[3-(2,4,6-trifluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141260766
5-cyclohexyl-3-phenylsulfanyl-1H-pyrazole
CID 21454038
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
2-cyclodecylbenzaldehyde
CID 142358507
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831
2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine
CID 68910804
6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde
CID 137401776
3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 112611768

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde?
The IUPAC name of 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde (CID 155110583) is 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde.
What is the SMILES notation for 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde?
The canonical SMILES for 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde is O=Cc1cccc(F)c1-c1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde?
The InChIKey is FZJMJWDSSUQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-13-8-4-7-12(10-20)16(13)15-9-14(18-19-15)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19).
What are the key properties of 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde?
2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde has a molecular weight of 272.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-1H-pyrazol-3-yl)-3-fluorobenzaldehyde is sourced from PubChem (CID 155110583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).