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

C11H18N4O3S — CID 13241346

IUPAC[1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCSCc1cc(OC(=O)N(C)C)n(C(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O3S/c1-13(2)10(16)15-9(18-11(17)14(3)4)6-8(12-15)7-19-5/h6H,7H2,1-5H3
InChIKeyKQBAKRYPVBTVEK-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.34
Rot. Bonds3

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

[1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (PubChem CID 13241346) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
PubChem CID13241346
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name[1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCSCc1cc(OC(=O)N(C)C)n(C(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O3S/c1-13(2)10(16)15-9(18-11(17)14(3)4)6-8(12-15)7-19-5/h6H,7H2,1-5H3
InChIKeyKQBAKRYPVBTVEK-UHFFFAOYSA-N
XLogP1.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimetilan
CID 12572
1-(Dimethylcarbamoyl)-3-methyl-1h-pyrazol-5-yl dimethylcarbamate
CID 89153
[1-(dimethylcarbamoyl)-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 13241347
[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 13241348
[1-carbamoyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 13241349
dimethylcarbamic acid;[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
CID 17887941
CID 18785286
CID 18785286
[3-(methylsulfinylmethyl)-1-propan-2-ylpyrazol-5-yl] N,N-dimethylcarbamate
CID 21241913
[1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 21241918
[1-(Dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate
CID 21279474
[3-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-5-yl] N,N-dimethylcarbamate
CID 23350056
[1-methyl-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 23350069

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (CID 13241346) is [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is CSCc1cc(OC(=O)N(C)C)n(C(=O)N(C)C)n1.
What is the InChIKey of [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The InChIKey is KQBAKRYPVBTVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-13(2)10(16)15-9(18-11(17)14(3)4)6-8(12-15)7-19-5/h6H,7H2,1-5H3.
What are the key properties of [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
[1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate has a molecular weight of 286.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 13241346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).