1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

C10H15ClN4O3S — CID 4995701

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H15ClN4O3S/c1-6-8(9(11)14(2)13-6)19(17,18)15-5-3-4-7(15)10(12)16/h7H,3-5H2,1-2H3,(H2,12,16)
InChIKeyUEFGNPGBLIZISI-UHFFFAOYSA-N
MW306.78 g/mol
LogP0.02
Rot. Bonds3

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 4995701) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID4995701
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H15ClN4O3S/c1-6-8(9(11)14(2)13-6)19(17,18)15-5-3-4-7(15)10(12)16/h7H,3-5H2,1-2H3,(H2,12,16)
InChIKeyUEFGNPGBLIZISI-UHFFFAOYSA-N
XLogP0.02
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (CID 4995701) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is UEFGNPGBLIZISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-6-8(9(11)14(2)13-6)19(17,18)15-5-3-4-7(15)10(12)16/h7H,3-5H2,1-2H3,(H2,12,16).
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4995701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).