1-cyclopropylpyrazole-4-carbaldehyde

C7H8N2O — CID 57416914

IUPAC1-cyclopropylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CC2)c1
InChIInChI=1S/C7H8N2O/c10-5-6-3-8-9(4-6)7-1-2-7/h3-5,7H,1-2H2
InChIKeyKHABDBBXXQVOHP-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.03
Rot. Bonds2

About 1-cyclopropylpyrazole-4-carbaldehyde

1-cyclopropylpyrazole-4-carbaldehyde (PubChem CID 57416914) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-cyclopropylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropylpyrazole-4-carbaldehyde
PubChem CID57416914
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1-cyclopropylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CC2)c1
InChIInChI=1S/C7H8N2O/c10-5-6-3-8-9(4-6)7-1-2-7/h3-5,7H,1-2H2
InChIKeyKHABDBBXXQVOHP-UHFFFAOYSA-N
XLogP1.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.03
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-cyclopropylpyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclopropylpyrazole-4-carbaldehyde (CID 57416914) is 1-cyclopropylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclopropylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclopropylpyrazole-4-carbaldehyde is O=Cc1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole-4-carbaldehyde?
The InChIKey is KHABDBBXXQVOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-5-6-3-8-9(4-6)7-1-2-7/h3-5,7H,1-2H2.
What are the key properties of 1-cyclopropylpyrazole-4-carbaldehyde?
1-cyclopropylpyrazole-4-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole-4-carbaldehyde is sourced from PubChem (CID 57416914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).