1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide

C15H19F2N3O2S — CID 19582168

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccccc1
InChIInChI=1S/C15H19F2N3O2S/c1-4-13(12-8-6-5-7-9-12)19-23(21,22)14-10(2)18-20(11(14)3)15(16)17/h5-9,13,15,19H,4H2,1-3H3
InChIKeyCLWQVJBBQSHCEY-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.32
Rot. Bonds6

About 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide

1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide (PubChem CID 19582168) has the molecular formula C15H19F2N3O2S and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
PubChem CID19582168
Molecular FormulaC15H19F2N3O2S
Molecular Weight343.40 g/mol
Exact Mass343.12
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccccc1
InChIInChI=1S/C15H19F2N3O2S/c1-4-13(12-8-6-5-7-9-12)19-23(21,22)14-10(2)18-20(11(14)3)15(16)17/h5-9,13,15,19H,4H2,1-3H3
InChIKeyCLWQVJBBQSHCEY-UHFFFAOYSA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
(1S,3R)-N-((5-(3,5-difluorophenyl)-4-methyl-1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45267506
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 895190

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide (CID 19582168) is 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccccc1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The InChIKey is CLWQVJBBQSHCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2S/c1-4-13(12-8-6-5-7-9-12)19-23(21,22)14-10(2)18-20(11(14)3)15(16)17/h5-9,13,15,19H,4H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide has a molecular weight of 343.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19582168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).