[2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane

C15H22N2OS — CID 168887149

IUPAC[2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane
SMILESC=CS(=C)C1CC(C)OC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C15H22N2OS/c1-4-19(3)14-7-11(2)18-15(8-14)12-9-16-17(10-12)13-5-6-13/h4,9-11,13-15H,1,3,5-8H2,2H3
InChIKeyPPHPTWLRGRQMCD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.67
Rot. Bonds4

About [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane

[2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane (PubChem CID 168887149) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane.

Molecular Properties

Compound Name[2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane
PubChem CID168887149
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane
SMILESC=CS(=C)C1CC(C)OC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C15H22N2OS/c1-4-19(3)14-7-11(2)18-15(8-14)12-9-16-17(10-12)13-5-6-13/h4,9-11,13-15H,1,3,5-8H2,2H3
InChIKeyPPHPTWLRGRQMCD-UHFFFAOYSA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane 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 [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane?
The IUPAC name of [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane (CID 168887149) is [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane.
What is the SMILES notation for [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane?
The canonical SMILES for [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane is C=CS(=C)C1CC(C)OC(c2cnn(C3CC3)c2)C1.
What is the InChIKey of [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane?
The InChIKey is PPHPTWLRGRQMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-19(3)14-7-11(2)18-15(8-14)12-9-16-17(10-12)13-5-6-13/h4,9-11,13-15H,1,3,5-8H2,2H3.
What are the key properties of [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane?
[2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane has a molecular weight of 278.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-ethenyl-methylidene-λ4-sulfane is sourced from PubChem (CID 168887149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).