[1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate

C9H15N3O3S — CID 23350069

IUPAC[1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(CS(C)=O)nn1C
InChIInChI=1S/C9H15N3O3S/c1-11(2)9(13)15-8-5-7(6-16(4)14)10-12(8)3/h5H,6H2,1-4H3
InChIKeyLQMWHTOANONPNZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.36
Rot. Bonds3

About [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate

[1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (PubChem CID 23350069) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
PubChem CID23350069
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name[1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(CS(C)=O)nn1C
InChIInChI=1S/C9H15N3O3S/c1-11(2)9(13)15-8-5-7(6-16(4)14)10-12(8)3/h5H,6H2,1-4H3
InChIKeyLQMWHTOANONPNZ-UHFFFAOYSA-N
XLogP0.36
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (CID 23350069) is [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(CS(C)=O)nn1C.
What is the InChIKey of [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The InChIKey is LQMWHTOANONPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-11(2)9(13)15-8-5-7(6-16(4)14)10-12(8)3/h5H,6H2,1-4H3.
What are the key properties of [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
[1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate has a molecular weight of 245.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 23350069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).