5-cyclopropyl-1H-pyrazole-4-carbaldehyde

C7H8N2O — CID 82418624

IUPAC5-cyclopropyl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1C1CC1
InChIInChI=1S/C7H8N2O/c10-4-6-3-8-9-7(6)5-1-2-5/h3-5H,1-2H2,(H,8,9)
InChIKeyAJISPHYBQBLYBF-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.10
Rot. Bonds2

About 5-cyclopropyl-1H-pyrazole-4-carbaldehyde

5-cyclopropyl-1H-pyrazole-4-carbaldehyde (PubChem CID 82418624) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-cyclopropyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-1H-pyrazole-4-carbaldehyde
PubChem CID82418624
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5-cyclopropyl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1C1CC1
InChIInChI=1S/C7H8N2O/c10-4-6-3-8-9-7(6)5-1-2-5/h3-5H,1-2H2,(H,8,9)
InChIKeyAJISPHYBQBLYBF-UHFFFAOYSA-N
XLogP1.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.10
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-cyclopropyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-cyclopropyl-1H-pyrazole-4-carbaldehyde (CID 82418624) is 5-cyclopropyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-1H-pyrazole-4-carbaldehyde is O=Cc1cn[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is AJISPHYBQBLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-4-6-3-8-9-7(6)5-1-2-5/h3-5H,1-2H2,(H,8,9).
What are the key properties of 5-cyclopropyl-1H-pyrazole-4-carbaldehyde?
5-cyclopropyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 82418624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).