1-cyclohexyl-3-methylpyrazole-4-carbaldehyde

C11H16N2O — CID 61271623

IUPAC1-cyclohexyl-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(C2CCCCC2)cc1C=O
InChIInChI=1S/C11H16N2O/c1-9-10(8-14)7-13(12-9)11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3
InChIKeyHNYXYMLYJOXRKP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.51
Rot. Bonds2

About 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde

1-cyclohexyl-3-methylpyrazole-4-carbaldehyde (PubChem CID 61271623) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexyl-3-methylpyrazole-4-carbaldehyde
PubChem CID61271623
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-cyclohexyl-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(C2CCCCC2)cc1C=O
InChIInChI=1S/C11H16N2O/c1-9-10(8-14)7-13(12-9)11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3
InChIKeyHNYXYMLYJOXRKP-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde (CID 61271623) is 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde is Cc1nn(C2CCCCC2)cc1C=O.
What is the InChIKey of 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde?
The InChIKey is HNYXYMLYJOXRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-10(8-14)7-13(12-9)11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde?
1-cyclohexyl-3-methylpyrazole-4-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61271623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).