4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide

C12H14FN3O3S — CID 23050761

IUPAC4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C12H14FN3O3S/c1-2-9-7-14-16(8-9)12(17)15-20(18,19)11-6-4-3-5-10(11)13/h3-7,9H,2,8H2,1H3,(H,15,17)
InChIKeyPTLGNQWTAGPJRN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.55
Rot. Bonds3

About 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide

4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050761) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050761
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C12H14FN3O3S/c1-2-9-7-14-16(8-9)12(17)15-20(18,19)11-6-4-3-5-10(11)13/h3-7,9H,2,8H2,1H3,(H,15,17)
InChIKeyPTLGNQWTAGPJRN-UHFFFAOYSA-N
XLogP1.55
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 23050761) is 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide is CCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PTLGNQWTAGPJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-2-9-7-14-16(8-9)12(17)15-20(18,19)11-6-4-3-5-10(11)13/h3-7,9H,2,8H2,1H3,(H,15,17).
What are the key properties of 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).