(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone

C10H14N2O2S — CID 114641814

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCCS1
InChIInChI=1S/C10H14N2O2S/c1-12-9(7(14-2)6-11-12)10(13)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3
InChIKeyQADGWNRHRDRIMJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.51
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone

(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone (PubChem CID 114641814) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
PubChem CID114641814
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCCS1
InChIInChI=1S/C10H14N2O2S/c1-12-9(7(14-2)6-11-12)10(13)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3
InChIKeyQADGWNRHRDRIMJ-UHFFFAOYSA-N
XLogP1.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641811
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114669670
(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
CID 114639658
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809701
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
(2-methoxypyrimidin-5-yl)-(thiolan-2-yl)methanone
CID 130533796
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
1,4-dithian-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641533

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone (CID 114641814) is (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone is COc1cnn(C)c1C(=O)C1CCCS1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone?
The InChIKey is QADGWNRHRDRIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12-9(7(14-2)6-11-12)10(13)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone?
(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 114641814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).