N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide

C7H11N3O2S — CID 130935160

IUPACN-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide
SMILESCCS(C)(=O)=NC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O2S/c1-3-13(2,12)10-7(11)6-4-8-9-5-6/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyMISJYYOTDPJDCN-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.67
Rot. Bonds2

About N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide

N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide (PubChem CID 130935160) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide
PubChem CID130935160
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide
SMILESCCS(C)(=O)=NC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O2S/c1-3-13(2,12)10-7(11)6-4-8-9-5-6/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyMISJYYOTDPJDCN-UHFFFAOYSA-N
XLogP0.67
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide (CID 130935160) is N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide is CCS(C)(=O)=NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide?
The InChIKey is MISJYYOTDPJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-13(2,12)10-7(11)6-4-8-9-5-6/h4-5H,3H2,1-2H3,(H,8,9).
What are the key properties of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide?
N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 130935160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).