[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate

C11H18N4O5S — CID 13241348

IUPAC[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(CS(C)(=O)=O)nn1C(=O)N(C)C
InChIInChI=1S/C11H18N4O5S/c1-13(2)10(16)15-9(20-11(17)14(3)4)6-8(12-15)7-21(5,18)19/h6H,7H2,1-5H3
InChIKeyKHTBPGQEWXMKKX-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.02
Rot. Bonds3

About [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate

[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (PubChem CID 13241348) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
PubChem CID13241348
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(CS(C)(=O)=O)nn1C(=O)N(C)C
InChIInChI=1S/C11H18N4O5S/c1-13(2)10(16)15-9(20-11(17)14(3)4)6-8(12-15)7-21(5,18)19/h6H,7H2,1-5H3
InChIKeyKHTBPGQEWXMKKX-UHFFFAOYSA-N
XLogP0.02
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (CID 13241348) is [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(CS(C)(=O)=O)nn1C(=O)N(C)C.
What is the InChIKey of [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The InChIKey is KHTBPGQEWXMKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-13(2)10(16)15-9(20-11(17)14(3)4)6-8(12-15)7-21(5,18)19/h6H,7H2,1-5H3.
What are the key properties of [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate has a molecular weight of 318.36 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 13241348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).