1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

C10H13N5O4S — CID 168719049

IUPAC1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1cnn(CCO)c1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H13N5O4S/c11-4-7-5-13-15(1-2-16)10(7)14-6-8(3-9(14)17)20(12,18)19/h5,8,16H,1-3,6H2,(H2,12,18,19)
InChIKeyVZUBRTJHQASNIZ-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.86
Rot. Bonds4

About 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719049) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719049
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1cnn(CCO)c1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H13N5O4S/c11-4-7-5-13-15(1-2-16)10(7)14-6-8(3-9(14)17)20(12,18)19/h5,8,16H,1-3,6H2,(H2,12,18,19)
InChIKeyVZUBRTJHQASNIZ-UHFFFAOYSA-N
XLogP-1.86
TPSA142.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168719049) is 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is N#Cc1cnn(CCO)c1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is VZUBRTJHQASNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c11-4-7-5-13-15(1-2-16)10(7)14-6-8(3-9(14)17)20(12,18)19/h5,8,16H,1-3,6H2,(H2,12,18,19).
What are the key properties of 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 299.31 g/mol, XLogP of -1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).