5-cyclobutyl-1H-pyrazole-3-carbaldehyde

C8H10N2O — CID 105429472

IUPAC5-cyclobutyl-1H-pyrazole-3-carbaldehyde
SMILESO=Cc1cc(C2CCC2)[nH]n1
InChIInChI=1S/C8H10N2O/c11-5-7-4-8(10-9-7)6-2-1-3-6/h4-6H,1-3H2,(H,9,10)
InChIKeyVVVPRWFWIQNECK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.49
Rot. Bonds2

About 5-cyclobutyl-1H-pyrazole-3-carbaldehyde

5-cyclobutyl-1H-pyrazole-3-carbaldehyde (PubChem CID 105429472) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-cyclobutyl-1H-pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclobutyl-1H-pyrazole-3-carbaldehyde
PubChem CID105429472
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5-cyclobutyl-1H-pyrazole-3-carbaldehyde
SMILESO=Cc1cc(C2CCC2)[nH]n1
InChIInChI=1S/C8H10N2O/c11-5-7-4-8(10-9-7)6-2-1-3-6/h4-6H,1-3H2,(H,9,10)
InChIKeyVVVPRWFWIQNECK-UHFFFAOYSA-N
XLogP1.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1H-pyrazole-3-carbaldehyde?
The IUPAC name of 5-cyclobutyl-1H-pyrazole-3-carbaldehyde (CID 105429472) is 5-cyclobutyl-1H-pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-cyclobutyl-1H-pyrazole-3-carbaldehyde?
The canonical SMILES for 5-cyclobutyl-1H-pyrazole-3-carbaldehyde is O=Cc1cc(C2CCC2)[nH]n1.
What is the InChIKey of 5-cyclobutyl-1H-pyrazole-3-carbaldehyde?
The InChIKey is VVVPRWFWIQNECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-5-7-4-8(10-9-7)6-2-1-3-6/h4-6H,1-3H2,(H,9,10).
What are the key properties of 5-cyclobutyl-1H-pyrazole-3-carbaldehyde?
5-cyclobutyl-1H-pyrazole-3-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1H-pyrazole-3-carbaldehyde is sourced from PubChem (CID 105429472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).