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

C13H16FN3O3S — CID 23050744

IUPACN-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H16FN3O3S/c1-2-5-10-8-9-15-17(10)13(18)16-21(19,20)12-7-4-3-6-11(12)14/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,18)
InChIKeyKJAUFMBYNVYAOF-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.08
Rot. Bonds4

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

N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050744) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050744
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC NameN-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H16FN3O3S/c1-2-5-10-8-9-15-17(10)13(18)16-21(19,20)12-7-4-3-6-11(12)14/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,18)
InChIKeyKJAUFMBYNVYAOF-UHFFFAOYSA-N
XLogP2.08
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide (CID 23050744) is N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide is CCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is KJAUFMBYNVYAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-2-5-10-8-9-15-17(10)13(18)16-21(19,20)12-7-4-3-6-11(12)14/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide?
N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).