3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole

C11H14N2OS — CID 141129709

IUPAC3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole
SMILESCc1nn(C2CCOCC2)c2sccc12
InChIInChI=1S/C11H14N2OS/c1-8-10-4-7-15-11(10)13(12-8)9-2-5-14-6-3-9/h4,7,9H,2-3,5-6H2,1H3
InChIKeyJNDWTKUJSUMXHR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.76
Rot. Bonds1

About 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole

3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole (PubChem CID 141129709) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole
PubChem CID141129709
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole
SMILESCc1nn(C2CCOCC2)c2sccc12
InChIInChI=1S/C11H14N2OS/c1-8-10-4-7-15-11(10)13(12-8)9-2-5-14-6-3-9/h4,7,9H,2-3,5-6H2,1H3
InChIKeyJNDWTKUJSUMXHR-UHFFFAOYSA-N
XLogP2.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde
CID 143163396
1-iodo-3-methylthieno[3,2-d]pyrazole
CID 130319733
3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 71768828
3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine-5-sulfinic acid
CID 165450130
N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66827873
3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole
CID 122630976
5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
CID 170965692
5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
N-[(2-methylthiophen-3-yl)methyl]-N-[[2-(oxan-4-yl)pyrazol-3-yl]methyl]prop-2-enamide
CID 166424726
1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
CID 63937696
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
CID 164715787

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole?
The IUPAC name of 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole (CID 141129709) is 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole is Cc1nn(C2CCOCC2)c2sccc12.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole?
The InChIKey is JNDWTKUJSUMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-10-4-7-15-11(10)13(12-8)9-2-5-14-6-3-9/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole?
3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole has a molecular weight of 222.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole is sourced from PubChem (CID 141129709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).