1-(cyclopropylmethyl)pyrazole-4-carbaldehyde

C8H10N2O — CID 62726510

IUPAC1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CC2CC2)c1
InChIInChI=1S/C8H10N2O/c11-6-8-3-9-10(5-8)4-7-1-2-7/h3,5-7H,1-2,4H2
InChIKeyBUTTVUBNXIIXRH-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.11
Rot. Bonds3

About 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde

1-(cyclopropylmethyl)pyrazole-4-carbaldehyde (PubChem CID 62726510) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
PubChem CID62726510
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CC2CC2)c1
InChIInChI=1S/C8H10N2O/c11-6-8-3-9-10(5-8)4-7-1-2-7/h3,5-7H,1-2,4H2
InChIKeyBUTTVUBNXIIXRH-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.11
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-(cyclopropylmethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde (CID 62726510) is 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde is O=Cc1cnn(CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde?
The InChIKey is BUTTVUBNXIIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-6-8-3-9-10(5-8)4-7-1-2-7/h3,5-7H,1-2,4H2.
What are the key properties of 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde?
1-(cyclopropylmethyl)pyrazole-4-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 62726510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).