N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde

C19H29N3O2S — CID 143163396

IUPACN-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde
SMILESCNC1CCCCC1.Cc1nn(C2CCOCC2)c2sc(C=O)cc12
InChIInChI=1S/C12H14N2O2S.C7H15N/c1-8-11-6-10(7-15)17-12(11)14(13-8)9-2-4-16-5-3-9;1-8-7-5-3-2-4-6-7/h6-7,9H,2-5H2,1H3;7-8H,2-6H2,1H3
InChIKeyIFBJLJUFHJUABN-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.11
Rot. Bonds3

About N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde

N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde (PubChem CID 143163396) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde.

Molecular Properties

Compound NameN-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde
PubChem CID143163396
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde
SMILESCNC1CCCCC1.Cc1nn(C2CCOCC2)c2sc(C=O)cc12
InChIInChI=1S/C12H14N2O2S.C7H15N/c1-8-11-6-10(7-15)17-12(11)14(13-8)9-2-4-16-5-3-9;1-8-7-5-3-2-4-6-7/h6-7,9H,2-5H2,1H3;7-8H,2-6H2,1H3
InChIKeyIFBJLJUFHJUABN-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-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 N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
The IUPAC name of N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde (CID 143163396) is N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde.
What is the SMILES notation for N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
The canonical SMILES for N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde is CNC1CCCCC1.Cc1nn(C2CCOCC2)c2sc(C=O)cc12.
What is the InChIKey of N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
The InChIKey is IFBJLJUFHJUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S.C7H15N/c1-8-11-6-10(7-15)17-12(11)14(13-8)9-2-4-16-5-3-9;1-8-7-5-3-2-4-6-7/h6-7,9H,2-5H2,1H3;7-8H,2-6H2,1H3.
What are the key properties of N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde has a molecular weight of 363.53 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde is sourced from PubChem (CID 143163396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).