3-cyclohexyl-1-methylpyrazole-5-carbaldehyde

C11H16N2O — CID 83818200

IUPAC3-cyclohexyl-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(C2CCCCC2)cc1C=O
InChIInChI=1S/C11H16N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyLRKBYQFBMNLVKD-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds2

About 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde

3-cyclohexyl-1-methylpyrazole-5-carbaldehyde (PubChem CID 83818200) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-1-methylpyrazole-5-carbaldehyde
PubChem CID83818200
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclohexyl-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(C2CCCCC2)cc1C=O
InChIInChI=1S/C11H16N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyLRKBYQFBMNLVKD-UHFFFAOYSA-N
XLogP2.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde (CID 83818200) is 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde is Cn1nc(C2CCCCC2)cc1C=O.
What is the InChIKey of 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde?
The InChIKey is LRKBYQFBMNLVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde?
3-cyclohexyl-1-methylpyrazole-5-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 83818200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).