1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde

C12H12N2OS — CID 121213556

IUPAC1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(CC2CC2)nc1-c1ccsc1
InChIInChI=1S/C12H12N2OS/c15-7-11-6-14(5-9-1-2-9)13-12(11)10-3-4-16-8-10/h3-4,6-9H,1-2,5H2
InChIKeyRUWDKNGADZRRCD-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.83
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde

1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde (PubChem CID 121213556) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde
PubChem CID121213556
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(CC2CC2)nc1-c1ccsc1
InChIInChI=1S/C12H12N2OS/c15-7-11-6-14(5-9-1-2-9)13-12(11)10-3-4-16-8-10/h3-4,6-9H,1-2,5H2
InChIKeyRUWDKNGADZRRCD-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde (CID 121213556) is 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde is O=Cc1cn(CC2CC2)nc1-c1ccsc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde?
The InChIKey is RUWDKNGADZRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-7-11-6-14(5-9-1-2-9)13-12(11)10-3-4-16-8-10/h3-4,6-9H,1-2,5H2.
What are the key properties of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde?
1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde has a molecular weight of 232.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 121213556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).