N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide

C20H23FN4O3S — CID 46832866

IUPACN,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccc3F)c2=O)nc1
InChIInChI=1S/C20H23FN4O3S/c1-4-24(5-2)29(27,28)16-10-11-19(22-13-16)25-20(26)17(14(3)23-25)12-15-8-6-7-9-18(15)21/h6-11,13,23H,4-5,12H2,1-3H3
InChIKeyZYCRDWWRFPTMNI-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.63
Rot. Bonds7

About N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide

N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide (PubChem CID 46832866) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide
PubChem CID46832866
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC NameN,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccc3F)c2=O)nc1
InChIInChI=1S/C20H23FN4O3S/c1-4-24(5-2)29(27,28)16-10-11-19(22-13-16)25-20(26)17(14(3)23-25)12-15-8-6-7-9-18(15)21/h6-11,13,23H,4-5,12H2,1-3H3
InChIKeyZYCRDWWRFPTMNI-UHFFFAOYSA-N
XLogP2.63
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide (CID 46832866) is N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccc3F)c2=O)nc1.
What is the InChIKey of N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide?
The InChIKey is ZYCRDWWRFPTMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-4-24(5-2)29(27,28)16-10-11-19(22-13-16)25-20(26)17(14(3)23-25)12-15-8-6-7-9-18(15)21/h6-11,13,23H,4-5,12H2,1-3H3.
What are the key properties of N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide?
N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide has a molecular weight of 418.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 46832866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).