N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide

C11H12FN3O3S — CID 23050742

IUPACN-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C11H12FN3O3S/c1-8-6-7-15(13-8)11(16)14-19(17,18)10-5-3-2-4-9(10)12/h2-5H,6-7H2,1H3,(H,14,16)
InChIKeyQPNYPCQCOZBVEU-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.31
Rot. Bonds2

About N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide

N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050742) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050742
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC NameN-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C11H12FN3O3S/c1-8-6-7-15(13-8)11(16)14-19(17,18)10-5-3-2-4-9(10)12/h2-5H,6-7H2,1H3,(H,14,16)
InChIKeyQPNYPCQCOZBVEU-UHFFFAOYSA-N
XLogP1.31
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)sulfonyl-3-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050737
N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide
CID 23050744
1-(2,6-Difluorophenylsulphonylcarbamoyl)-2-pyrazoline
CID 23050749
4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050761
N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
CID 23050762
N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050770
N-(2-chloro-4-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050771
5-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050802
N-(2,6-difluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050806
5-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050812
N-(2,6-difluorophenyl)sulfonyl-4-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050831
N-(2,6-difluorophenyl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboxamide
CID 23050836

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide (CID 23050742) is N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is QPNYPCQCOZBVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-8-6-7-15(13-8)11(16)14-19(17,18)10-5-3-2-4-9(10)12/h2-5H,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).