1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde

C15H17N3O — CID 61270868

IUPAC1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C15H17N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h6-11,14H,1-5H2
InChIKeyPQEQEDQFZJPOSM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.26
Rot. Bonds3

About 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde

1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 61270868) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID61270868
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C15H17N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h6-11,14H,1-5H2
InChIKeyPQEQEDQFZJPOSM-UHFFFAOYSA-N
XLogP3.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 63566798
1-cycloheptyl-3-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 61270878
1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758457
1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61271244
1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
CID 146680336
1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 61267084
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde
CID 63864957
1-propan-2-yl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 61266268
1-cyclohexyl-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679178
4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 90780421
1-[(4-chlorophenyl)methyl]-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 63278646
1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43324340

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde (CID 61270868) is 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde is O=Cc1cn(C2CCCCC2)nc1-c1ccncc1.
What is the InChIKey of 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is PQEQEDQFZJPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h6-11,14H,1-5H2.
What are the key properties of 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61270868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).