[4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate

C10H16N4O3S — CID 70515702

IUPAC[4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCSCc1nn(C)c(OC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C10H16N4O3S/c1-13(2)10(16)17-9-7(8(11)15)6(5-18-4)12-14(9)3/h5H2,1-4H3,(H2,11,15)
InChIKeyBPQBZGZNCNVHOD-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.44
Rot. Bonds4

About [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate

[4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (PubChem CID 70515702) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
PubChem CID70515702
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name[4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCSCc1nn(C)c(OC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C10H16N4O3S/c1-13(2)10(16)17-9-7(8(11)15)6(5-18-4)12-14(9)3/h5H2,1-4H3,(H2,11,15)
InChIKeyBPQBZGZNCNVHOD-UHFFFAOYSA-N
XLogP0.44
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate (CID 70515702) is [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is CSCc1nn(C)c(OC(=O)N(C)C)c1C(N)=O.
What is the InChIKey of [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
The InChIKey is BPQBZGZNCNVHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-13(2)10(16)17-9-7(8(11)15)6(5-18-4)12-14(9)3/h5H2,1-4H3,(H2,11,15).
What are the key properties of [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate?
[4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate has a molecular weight of 272.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-carbamoyl-1-methyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 70515702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).