4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide

C10H17ClN4O3S — CID 121494583

IUPAC4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCS(=O)(=O)N(C)C)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-7-8(11)9(15(4)13-7)10(16)12-5-6-19(17,18)14(2)3/h5-6H2,1-4H3,(H,12,16)
InChIKeyYRFPKBRDMNMAEJ-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.00
Rot. Bonds5

About 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 121494583) has the molecular formula C10H17ClN4O3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID121494583
Molecular FormulaC10H17ClN4O3S
Molecular Weight308.79 g/mol
Exact Mass308.07
IUPAC Name4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCS(=O)(=O)N(C)C)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-7-8(11)9(15(4)13-7)10(16)12-5-6-19(17,18)14(2)3/h5-6H2,1-4H3,(H,12,16)
InChIKeyYRFPKBRDMNMAEJ-UHFFFAOYSA-N
XLogP0.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide (CID 121494583) is 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCS(=O)(=O)N(C)C)c1Cl.
What is the InChIKey of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YRFPKBRDMNMAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3S/c1-7-8(11)9(15(4)13-7)10(16)12-5-6-19(17,18)14(2)3/h5-6H2,1-4H3,(H,12,16).
What are the key properties of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 121494583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).