N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide

C14H16FN3O3S — CID 19931799

IUPACN,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C14H16FN3O3S/c1-3-17(4-2)14(19)18-10-9-13(16-18)22(20,21)12-8-6-5-7-11(12)15/h5-10H,3-4H2,1-2H3
InChIKeyRZDTULYSIUMGHN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.16
Rot. Bonds4

About N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide

N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide (PubChem CID 19931799) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide
PubChem CID19931799
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC NameN,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C14H16FN3O3S/c1-3-17(4-2)14(19)18-10-9-13(16-18)22(20,21)12-8-6-5-7-11(12)15/h5-10H,3-4H2,1-2H3
InChIKeyRZDTULYSIUMGHN-UHFFFAOYSA-N
XLogP2.16
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide (CID 19931799) is N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide is CCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccccc2F)n1.
What is the InChIKey of N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide?
The InChIKey is RZDTULYSIUMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-3-17(4-2)14(19)18-10-9-13(16-18)22(20,21)12-8-6-5-7-11(12)15/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide?
N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).