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

C14H23N3O2S — CID 21241918

IUPAC[1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCSCc1cc(OC(=O)N(C)C)n(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-16(2)14(18)19-13-9-11(10-20-3)15-17(13)12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3
InChIKeyQTFSITHDJRRKGW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.31
Rot. Bonds4

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

[1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (PubChem CID 21241918) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
PubChem CID21241918
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCSCc1cc(OC(=O)N(C)C)n(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-16(2)14(18)19-13-9-11(10-20-3)15-17(13)12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3
InChIKeyQTFSITHDJRRKGW-UHFFFAOYSA-N
XLogP3.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (CID 21241918) is [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is CSCc1cc(OC(=O)N(C)C)n(C2CCCCC2)n1.
What is the InChIKey of [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The InChIKey is QTFSITHDJRRKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16(2)14(18)19-13-9-11(10-20-3)15-17(13)12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3.
What are the key properties of [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
[1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate has a molecular weight of 297.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 21241918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).