1-cyclobutylpyrazole-4-carbaldehyde

C8H10N2O — CID 83872455

IUPAC1-cyclobutylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCC2)c1
InChIInChI=1S/C8H10N2O/c11-6-7-4-9-10(5-7)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyXBSKTLJNGYGCGY-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.42
Rot. Bonds2

About 1-cyclobutylpyrazole-4-carbaldehyde

1-cyclobutylpyrazole-4-carbaldehyde (PubChem CID 83872455) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-cyclobutylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclobutylpyrazole-4-carbaldehyde
PubChem CID83872455
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-cyclobutylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCC2)c1
InChIInChI=1S/C8H10N2O/c11-6-7-4-9-10(5-7)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyXBSKTLJNGYGCGY-UHFFFAOYSA-N
XLogP1.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.42
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-Methyl-1H-pyrazole-4-carbaldehyde
CID 573117
1-Ethyl-1H-pyrazole-4-carboxaldehyde
CID 2758900
1-tert-butyl-1H-pyrazole-4-carbaldehyde
CID 14510324
1-Propyl-1H-pyrazole-4-carbaldehyde
CID 4711792
1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde
CID 4712266
1-(2-hydroxyethyl)-1H-pyrazole-4-carbaldehyde
CID 24702608
1-ethenyl-1H-pyrazole-4-carbaldehyde
CID 37134534
2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate
CID 54593338
1-Cyclohexyl-1H-pyrazole-4-carbaldehyde
CID 3145403
1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 5230536
1-(2-Methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 19576747
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 19619552

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclobutylpyrazole-4-carbaldehyde (CID 83872455) is 1-cyclobutylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclobutylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclobutylpyrazole-4-carbaldehyde is O=Cc1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutylpyrazole-4-carbaldehyde?
The InChIKey is XBSKTLJNGYGCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-6-7-4-9-10(5-7)8-2-1-3-8/h4-6,8H,1-3H2.
What are the key properties of 1-cyclobutylpyrazole-4-carbaldehyde?
1-cyclobutylpyrazole-4-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrazole-4-carbaldehyde is sourced from PubChem (CID 83872455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).